William DeGrado, PhD
Professor
Pharmaceutical Chemistry
School of Pharmacy

One research interest is in the de novo design, in which one designs proteins or drugs beginning from first principles. This approach critically tests our understanding of protein folding and function, while also laying the groundwork for the design of molecules with properties unprecedented in nature.

Awards

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• John C. Scott Award, Franklin Institute & City Council of Philadelphia, 2020
• Cope Scholar Award, American Chemical Society, 2018
• M. Goodman Memorial Prize, American Chemical Society, 2018
• Max Perutz Memorial Lecture, Weizmann Institute, 2016
• The Stein and Moore Award, The Protein Society, 2015
• Makineni Award (APS), 2009
• Ralph F. Hirschmann Award in Peptide Chemistry (American Chemical Society), 2008
• Merrifield Award, Peptide Society, 2003
• Member, National Academy of Sciences (U.S.A.), 1999
• Fellow, AAAS, 1998
• Fellow, American Association for the Advancement of Science, 1995
• DuPont Merck Summit Award, 1993
• Eli Lilly Award in Biological Chemistry, 1992
• Protein Society Young Investigator Award, 1989
• Du Vigneaud Award for Young Investigators in Peptide Research, 1988

Websites

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• Profile at pharmchem.ucsf.edu (pharmchem.ucsf.edu)

Grants and Projects

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• Degenerative and Dementing Diseases of Aging, NIH, 1981-2025
• Relationships between conformational strains of tau and amyloid-beta, TREM2 and APOE variants, and phenotypic variations of Alzheimer's Disease, NIH, 2018-2023
• Deciphering the relationship between structure, dynamics and function in helical bundle proteins, NIH, 2017-2022
• Treatment of pulmonary fibrosis with inhibitors of integrin alphavbeta1., NIH, 2014-2019
• De Novo Design of Alpha-Helical Bundles, NIH, 1996-2018
• Vaccines that Replicate the Neutralization-Competent Structure of the gp41 MPER, NIH, 2012-2018
• Structure of M2 Proton Channel from Influenza A Virus, NIH, 1997-2017
• Treatment of pulmonary fibrosis with inhibitors of integrin alphavbeta1., NIH, 2014-2016
• National Biomedical NMR Resource at Madison, NIH, 1985-2015
• Design and mechanistic studies of mimics of antimicrobial peptides, NIH, 2008-2014
• De novo design of alpha-helical bundles, NIH, 1996-2014
• Development of drugs that target the M2 proton channel from the influenza A Virus, NIH, 2008-2014
• Design and mechanistic studies of mimics of antimicrobial peptides, NIH, 2008-2013
• High Performance Computing for Biomedical Research, NIH, 1990-2013
• An Undulator Resource for Structural Biology, NIH, 2001-2013
• Ultrafast Optical Processes Laboratory, NIH, 1982-2012
• Principles of Energy Transduction in Proteins, NIH, 1993-2010
• Bioorganic models for transmembrane proteins, NIH, 1999-2010
• Proteomics to Biomimetic Polymers: Engineering Principle, NIH, 2002-2007
• Proteomics to Biomimetic Polymers: Engineering Principle, NIH, 2002-2006
• Purchase of Analytical Ultracentrifuge, NIH, 1997-1998

Publications (464)

Top publication keywords:
Protein EngineeringProtein FoldingMembrane ProteinsProtonsAmino Acid SequenceMetalloproteinsProtein Structure, SecondaryProtein ConformationModels, MolecularProteinsPeptidesViral Matrix ProteinsAmantadineInfluenza A virusPlatelet Glycoprotein GPIIb-IIIa Complex

• A designed Zn 2+ sensor domain transmits binding information to transmembrane histidine kinases.
  bioRxiv : the preprint server for biology 2024 Hatstat AK, Kormos R, Xu V, DeGrado WF
• Methods for high throughput discovery of fluoroprobes that recognize tau fibril polymorphs.
  bioRxiv : the preprint server for biology 2024 Carroll EC, Yang H, Jones JG, Oehler A, Charvat AF, Montgomery KM, Yung A, Millbern Z, Vinueza NR, DeGrado WF, Mordes DA, Condello C, Gestwicki JE
• SuFEx Chemistry Enables Covalent Assembly of a 280-kDa 18-Subunit Pore-Forming Complex.
  Journal of the American Chemical Society 2024 Schnaider L, Tan S, Singh PR, Capuano F, Scott AJ, Hambley R, Lu L, Yang H, Wallace EJ, Jo H, DeGrado WF
• IL-13 and IL-17A activate β1 integrin through an NF-kB/Rho kinase/PIP5K1γ pathway to enhance force transmission in airway smooth muscle.
  Proceedings of the National Academy of Sciences of the United States of America 2024 Ngo U, Shi Y, Woodruff P, Shokat K, DeGrado W, Jo H, Sheppard D, Sundaram AB
• Zfp106 binds to G-quadruplex RNAs and inhibits RAN translation and formation of RNA foci caused by G4C2 repeats.
  Proceedings of the National Academy of Sciences of the United States of America 2024 Celona B, Salomonsson SE, Wu H, Dang B, Kratochvil HT, Clelland CD, DeGrado WF, Black BL

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• ProBASS - a language model with sequence and structural features for predicting the effect of mutations on binding affinity.
  bioRxiv : the preprint server for biology 2024 Gurusinghe SNS, Wu Y, DeGrado W, Shifman JM
• Patterning and folding of intestinal villi by active mesenchymal dewetting.
  Cell 2024 Huycke TR, Häkkinen TJ, Miyazaki H, Srivastava V, Barruet E, McGinnis CS, Kalantari A, Cornwall-Scoones J, Vaka D, Zhu Q, Jo H, Oria R, Weaver VM, DeGrado WF, Thomson M, Garikipati K, Boffelli D, …
• IL-13 and IL-17A Activate β1 Integrin through an NF-kB/Rho kinase/PIP5K1γ pathway to Enhance Force Transmission in Airway Smooth Muscle.
  bioRxiv : the preprint server for biology 2024 Ngo U, Shi Y, Woodruff P, Shokat K, DeGrado W, Jo H, Sheppard D, Sundaram AB
• De novo design of drug-binding proteins with predictable binding energy and specificity.
  Science (New York, N.Y.) 2024 Lu L, Gou X, Tan SK, Mann SI, Yang H, Zhong X, Gazgalis D, Valdiviezo J, Jo H, Wu Y, Diolaiti ME, Ashworth A, Polizzi NF, DeGrado WF
• De novo design of peptides that bind specific conformers of α-synuclein.
  Chemical science 2024 Wallace HM, Yang H, Tan S, Pan HS, Yang R, Xu J, Jo H, Condello C, Polizzi NF, DeGrado WF
• De novo-designed transmembrane proteins bind and regulate a cytokine receptor.
  Nature chemical biology 2024 Mravic M, He L, Kratochvil HT, Hu H, Nick SE, Bai W, Edwards A, Jo H, Wu Y, DiMaio D, DeGrado WF
• An enhanced broad-spectrum peptide inhibits Omicron variants in vivo.
  Cell reports. Medicine 2024 Bi W, Tang K, Chen G, Xie Y, Polizzi NF, DeGrado WF, Yuan S, Dang B
• Docking for Molecules That Bind in a Symmetric Stack with SymDOCK.
  Journal of chemical information and modeling 2024 Smith MS, Knight IS, Kormos RC, Pepe JG, Kunach P, Diamond MI, Shahmoradian SH, Irwin JJ, DeGrado WF, Shoichet BK
• De novo design of drug-binding proteins with predictable binding energy and specificity.
  bioRxiv : the preprint server for biology 2023 Lu L, Gou X, Tan SK, Mann SI, Yang H, Zhong X, Gazgalis D, Valdiviezo J, Jo H, Wu Y, Diolaiti ME, Ashworth A, Polizzi NF, DeGrado WF
• De novo Design of Peptides that Bind Specific Conformers of α-Synuclein.
  bioRxiv : the preprint server for biology 2023 Wallace HM, Yang H, Tan S, Pan HS, Yang R, Xu J, Jo H, Condello C, Polizzi NF, DeGrado WF
• Docking for molecules that bind in a symmetric stack with SymDOCK.
  bioRxiv : the preprint server for biology 2023 Smith MS, Knight IS, Kormos RC, Pepe JG, Kunach P, Diamond MI, Shahmoradian SH, Irwin JJ, DeGrado WF, Shoichet BK
• Hexamethylene amiloride binds the SARS-CoV-2 envelope protein at the protein-lipid interface.
  Protein science : a publication of the Protein Society 2023 Somberg NH, Medeiros-Silva J, Jo H, Wang J, DeGrado WF, Hong M
• Patterning and folding of intestinal villi by active mesenchymal dewetting.
  bioRxiv : the preprint server for biology 2023 Huycke TR, Miyazaki H, Häkkinen TJ, Srivastava V, Barruet E, McGinnis CS, Kalantari A, Cornwall-Scoones J, Vaka D, Zhu Q, Jo H, DeGrado WF, Thomson M, Garikipati K, Boffelli D, Klein OD, Gartner ZJ
• Transient water wires mediate selective proton transport in designed channel proteins.
  Nature chemistry 2023 Kratochvil HT, Watkins LC, Mravic M, Thomaston JL, Nicoludis JM, Somberg NH, Liu L, Hong M, Voth GA, DeGrado WF
• Stacked binding of a PET ligand to Alzheimer's tau paired helical filaments.
  Nature communications 2023 Merz GE, Chalkley MJ, Tan SK, Tse E, Lee J, Prusiner SB, Paras NA, DeGrado WF, Southworth DR
• A host defense peptide mimetic, brilacidin, potentiates caspofungin antifungal activity against human pathogenic fungi.
  Nature communications 2023 Dos Reis TF, de Castro PA, Bastos RW, Pinzan CF, Souza PFN, Ackloo S, Hossain MA, Drewry DH, Alkhazraji S, Ibrahim AS, Jo H, Lightfoot JD, Adams EM, Fuller KK, deGrado WF, Goldman GH
• EMBER multidimensional spectral microscopy enables quantitative determination of disease- and cell-specific amyloid strains.
  Proceedings of the National Academy of Sciences of the United States of America 2023 Yang H, Yuan P, Wu Y, Shi M, Caro CD, Tengeiji A, Yamanoi S, Inoue M, DeGrado WF, Condello C
• Designed Transmembrane Proteins Inhibit the Erythropoietin Receptor in a Custom Binding Topology.
  bioRxiv : the preprint server for biology 2023 Mravic M, He L, Kratochvil H, Hu H, Nick SE, Bai W, Edwards A, Jo H, Wu Y, DiMaio D, DeGrado WF
• EMBER multi-dimensional spectral microscopy enables quantitative determination of disease- and cell-specific amyloid strains.
  bioRxiv : the preprint server for biology 2023 Yang H, Yuan P, Wu Y, Shi M, Caro CD, Tengeiji A, Yamanoi S, Inoue M, DeGrado WF, Condello C
• Aβ and Tau Prions Causing Alzheimer's Disease.
  Methods in molecular biology (Clifton, N.J.) 2023 Condello C, Merz GE, Aoyagi A, DeGrado WF, Prusiner SB
• Solution of the protein structure prediction problem at last: crucial innovations and next frontiers.
  Faculty reviews 2022 Agard DA, Bowman GR, DeGrado W, Dokholyan NV, Zhou HX
• SARS-CoV-2 Envelope Protein Forms Clustered Pentamers in Lipid Bilayers.
  Biochemistry 2022 Somberg NH, Wu WW, Medeiros-Silva J, Dregni AJ, Jo H, DeGrado WF, Hong M
• Quaternary structure independent folding of voltage-gated ion channel pore domain subunits.
  Nature structural & molecular biology 2022 Arrigoni C, Lolicato M, Shaya D, Rohaim A, Findeisen F, Fong LK, Colleran CM, Dominik P, Kim SS, Schuermann JP, DeGrado WF, Grabe M, Kossiakoff AA, Minor DL
• Covalent labeling of a chromatin reader domain using proximity-reactive cyclic peptides.
  Chemical science 2022 Zhang MY, Yang H, Ortiz G, Trnka MJ, Petronikolou N, Burlingame AL, DeGrado WF, Fujimori DG
• The CD3ζ adaptor structure determines functional differences between human and mouse CD16 Fc receptor signaling.
  The Journal of experimental medicine 2022 Aguilar OA, Fong LK, Ishiyama K, DeGrado WF, Lanier LL
• Brilacidin, a COVID-19 drug candidate, demonstrates broad-spectrum antiviral activity against human coronaviruses OC43, 229E, and NL63 through targeting both the virus and the host cell.
  Journal of medical virology 2022 Hu Y, Jo H, DeGrado WF, Wang J
• Soluble TREM2 inhibits secondary nucleation of Aβ fibrillization and enhances cellular uptake of fibrillar Aβ.
  Proceedings of the National Academy of Sciences of the United States of America 2022 Belsare KD, Wu H, Mondal D, Bond A, Castillo E, Jin J, Jo H, Roush AE, Pilla KB, Sali A, Condello C, DeGrado WF
• Multiscale Simulation of an Influenza A M2 Channel Mutant Reveals Key Features of Its Markedly Different Proton Transport Behavior.
  Journal of the American Chemical Society 2022 Watkins LC, DeGrado WF, Voth GA
• Emergence of distinct and heterogeneous strains of amyloid beta with advanced Alzheimer's disease pathology in Down syndrome.
  Acta neuropathologica communications 2021 Maxwell AM, Yuan P, Rivera BM, Schaaf W, Mladinov M, Prasher VP, Robinson AC, DeGrado WF, Condello C
• Behaviour and interactions of proteins and peptides with and within membranes; from simple models to cellular membranes: general discussion.
  Faraday discussions 2021 Aguilar M, Al Nahas K, Barrera F, Bassereau P, Bastos M, Beales P, Bechinger B, Bonev B, Brand I, Chattopadhyay A, DeGrado W, Fuchs P, Garcia Saez AJ, Hoogenboom B, Kapoor S, Milán Rodríguez P, Molloy…
• Spiers Memorial Lecture: Analysis and de novo design of membrane-interactive peptides.
  Faraday discussions 2021 Kratochvil HT, Newberry RW, Mensa B, Mravic M, DeGrado WF
• Theoretical and experimental comparisons of simple peptide-membrane systems; towards defining the reaction space: general discussion.
  Faraday discussions 2021 Aguilar MI, Al Nahas K, Barrera FN, Bassereau P, Bechinger B, Brand I, Chattopadhyay A, Clarke RJ, DeGrado WF, Deplazes E, Fletcher M, Fraternali F, Fuchs P, Garcia-Saez AJ, Gilbert R, Hoogenboom BW, …
• Theoretical and experimental studies of complex peptide-membrane systems: general discussion.
  Faraday discussions 2021 Aguilar M, Al Nahas K, Barrera F, Bassereau P, Bastos M, Beales P, Bechinger B, Bonev B, Brand I, Chattopadhyay A, Clarke RJ, DeGrado W, Deplazes E, Garcia Saez AJ, Hoogenboom B, Lund R, Milán …
• Allosteric mechanism of signal transduction in the two-component system histidine kinase PhoQ.
  eLife 2021 Mensa B, Polizzi NF, Molnar KS, Natale AM, Lemmin T, DeGrado WF
• Cleavage of talin by calpain promotes platelet-mediated fibrin clot contraction.
  Blood advances 2021 Fong KP, Molnar KS, Agard N, Litvinov RI, Kim OV, Wells JA, Weisel JW, DeGrado WF, Bennett JS
• De novo metalloprotein design.
  Nature reviews. Chemistry 2021 Chalkley MJ, Mann SI, DeGrado WF
• Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
  Biochemistry 2021 Thomaston JL, Samways ML, Konstantinidi A, Ma C, Hu Y, Bruce Macdonald HE, Wang J, Essex JW, DeGrado WF, Kolocouris A
• Elucidation of the molecular interactions that enable stable assembly and structural diversity in multicomponent immune receptors.
  Proceedings of the National Academy of Sciences of the United States of America 2021 Fong LK, Chalkley MJ, Tan SK, Grabe M, DeGrado WF
• Integrin α2β1 regulates collagen I tethering to modulate hyperresponsiveness in reactive airway disease models.
  The Journal of clinical investigation 2021 Liu S, Ngo U, Tang XZ, Ren X, Qiu W, Huang X, DeGrado W, Allen CD, Jo H, Sheppard D, Sundaram AB
• Visualization of Platelet Integrins via Two-Photon Microscopy Using Anti-transmembrane Domain Peptides Containing a Blue Fluorescent Amino Acid.
  Biochemistry 2021 Fong KP, Ahmed IA, Mravic M, Jo H, Kim OV, Litvinov RI, Weisel JW, DeGrado WF, Gai F, Bennett JS
• Inclusion of the C-Terminal Domain in the β-Sheet Core of Heparin-Fibrillized Three-Repeat Tau Protein Revealed by Solid-State Nuclear Magnetic Resonance Spectroscopy.
  Journal of the American Chemical Society 2021 Dregni AJ, Wang HK, Wu H, Duan P, Jin J, DeGrado WF, Hong M
• Constructing ion channels from water-soluble α-helical barrels.
  Nature chemistry 2021 Scott AJ, Niitsu A, Kratochvil HT, Lang EJM, Sengel JT, Dawson WM, Mahendran KR, Mravic M, Thomson AR, Brady RL, Liu L, Mulholland AJ, Bayley H, DeGrado WF, Wallace MI, Woolfson DN
• Protein design-scapes generated by microfluidic DNA assembly elucidate domain coupling in the bacterial histidine kinase CpxA.
  Proceedings of the National Academy of Sciences of the United States of America 2021 Clark IC, Mensa B, Ochs CJ, Schmidt NW, Mravic M, Quintana FJ, DeGrado WF, Abate AR
• Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of α-Helix As Oxyanion-Binding Site.
  Journal of the American Chemical Society 2021 Naudin EA, McEwen AG, Tan SK, Poussin-Courmontagne P, Schmitt JL, Birck C, DeGrado WF, Torbeev V
• De Novo Design, Solution Characterization, and Crystallographic Structure of an Abiological Mn-Porphyrin-Binding Protein Capable of Stabilizing a Mn(V) Species.
  Journal of the American Chemical Society 2020 Mann SI, Nayak A, Gassner GT, Therien MJ, DeGrado WF
• Allosteric cooperation in a de novo-designed two-domain protein.
  Proceedings of the National Academy of Sciences of the United States of America 2020 Pirro F, Schmidt N, Lincoff J, Widel ZX, Polizzi NF, Liu L, Therien MJ, Grabe M, Chino M, Lombardi A, DeGrado WF
• Platform to Discover Protease-Activated Antibiotics and Application to Siderophore-Antibiotic Conjugates.
  Journal of the American Chemical Society 2020 Boyce JH, Dang B, Ary B, Edmondson Q, Craik CS, DeGrado WF, Seiple IB
• Dual antagonists of α5β1/αvβ1 integrin for airway hyperresponsiveness.
  Bioorganic & medicinal chemistry letters 2020 Sundaram A, Chen C, Isik Reed N, Liu S, Ki Yeon S, McIntosh J, Tang YZ, Yang H, Adler M, Beresis R, Seiple IB, Sheppard D, DeGrado WF, Jo H
• Influenza A M2 Inhibitor Binding Understood through Mechanisms of Excess Proton Stabilization and Channel Dynamics.
  Journal of the American Chemical Society 2020 Watkins LC, DeGrado WF, Voth GA
• Prion biology: implications for Alzheimer's disease therapeutics.
  The Lancet. Neurology 2020 Condello C, DeGrado WF, Prusiner SB
• A defined structural unit enables de novo design of small-molecule-binding proteins.
  Science (New York, N.Y.) 2020 Polizzi NF, DeGrado WF
• Robust Sequence Determinants of α-Synuclein Toxicity in Yeast Implicate Membrane Binding.
  ACS chemical biology 2020 Newberry RW, Arhar T, Costello J, Hartoularos GC, Maxwell AM, Naing ZZC, Pittman M, Reddy NR, Schwarz DMC, Wassarman DR, Wu TS, Barrero D, Caggiano C, Catching A, Cavazos TB, Estes LS, Faust B, Fink …
• Deep mutational scanning reveals the structural basis for α-synuclein activity.
  Nature chemical biology 2020 Newberry RW, Leong JT, Chow ED, Kampmann M, DeGrado WF
• De novo protein design, a retrospective.
  Quarterly reviews of biophysics 2020 Korendovych IV, DeGrado WF
• X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
  Biochemistry 2020 Thomaston JL, Konstantinidi A, Liu L, Lambrinidis G, Tan J, Caffrey M, Wang J, Degrado WF, Kolocouris A
• De novo design of a homo-trimeric amantadine-binding protein.
  eLife 2019 Park J, Selvaraj B, McShan AC, Boyken SE, Wei KY, Oberdorfer G, DeGrado W, Sgourakis NG, Cuneo MJ, Myles DA, Baker D
• A disease-associated mutation in fibrillin-1 differentially regulates integrin-mediated cell adhesion.
  The Journal of biological chemistry 2019 Del Cid JS, Reed NI, Molnar K, Liu S, Dang B, Jensen SA, DeGrado W, Handford PA, Sheppard D, Sundaram AB
• In vitro 0N4R tau fibrils contain a monomorphic β-sheet core enclosed by dynamically heterogeneous fuzzy coat segments.
  Proceedings of the National Academy of Sciences of the United States of America 2019 Dregni AJ, Mandala VS, Wu H, Elkins MR, Wang HK, Hung I, DeGrado WF, Hong M
• Modulating Integrin αIIbβ3 Activity through Mutagenesis of Allosterically Regulated Intersubunit Contacts.
  Biochemistry 2019 Tan SK, Fong KP, Polizzi NF, Sternisha A, Slusky JSG, Yoon K, DeGrado WF, Bennett JS
• Proton-Induced Conformational and Hydration Dynamics in the Influenza A M2 Channel.
  Journal of the American Chemical Society 2019 Watkins LC, Liang R, Swanson JMJ, DeGrado WF, Voth GA
• X-ray Crystal Structure of the Influenza A M2 Proton Channel S31N Mutant in Two Conformational States: An Open and Shut Case.
  Journal of the American Chemical Society 2019 Thomaston JL, Wu Y, Polizzi N, Liu L, Wang J, DeGrado WF
• Unique transmembrane domain interactions differentially modulate integrin αvβ3 and αIIbβ3 function.
  Proceedings of the National Academy of Sciences of the United States of America 2019 Litvinov RI, Mravic M, Zhu H, Weisel JW, DeGrado WF, Bennett JS
• Genetically Introducing Biochemically Reactive Amino Acids Dehydroalanine and Dehydrobutyrine in Proteins.
  Journal of the American Chemical Society 2019 Yang B, Wang N, Schnier PD, Zheng F, Zhu H, Polizzi NF, Ittuveetil A, Saikam V, DeGrado WF, Wang Q, Wang PG, Wang L
• Aβ and tau prion-like activities decline with longevity in the Alzheimer's disease human brain.
  Science translational medicine 2019 Aoyagi A, Condello C, Stöhr J, Yue W, Rivera BM, Lee JC, Woerman AL, Halliday G, van Duinen S, Ingelsson M, Lannfelt L, Graff C, Bird TD, Keene CD, Seeley WW, DeGrado WF, Prusiner SB
• Synthesis and application of the blue fluorescent amino acid l-4-cyanotryptophan to assess peptide-membrane interactions.
  Chemical communications (Cambridge, England) 2019 Zhang K, Ahmed IA, Kratochvil HT, DeGrado WF, Gai F, Jo H
• Glutamine Side Chain 13C═18O as a Nonperturbative IR Probe of Amyloid Fibril Hydration and Assembly.
  Journal of the American Chemical Society 2019 Wu H, Saltzberg DJ, Kratochvil HT, Jo H, Sali A, DeGrado WF
• De Novo Design of Four-Helix Bundle Metalloproteins: One Scaffold, Diverse Reactivities.
  Accounts of chemical research 2019 Lombardi A, Pirro F, Maglio O, Chino M, DeGrado WF
• Packing of apolar side chains enables accurate design of highly stable membrane proteins.
  Science (New York, N.Y.) 2019 Mravic M, Thomaston JL, Tucker M, Solomon PE, Liu L, DeGrado WF
• SNAC-tag for sequence-specific chemical protein cleavage.
  Nature methods 2019 Dang B, Mravic M, Hu H, Schmidt N, Mensa B, DeGrado WF
• Exposing the Nucleation Site in α-Helix Folding: A Joint Experimental and Simulation Study.
  The journal of physical chemistry. B 2019 Acharyya A, Ge Y, Wu H, DeGrado WF, Voelz VA, Gai F
• 4-Cyanoindole-2'-deoxyribonucleoside as a Dual Fluorescence and Infrared Probe of DNA Structure and Dynamics.
  Molecules (Basel, Switzerland) 2019 Ahmed IA, Acharyya A, Eng CM, Rodgers JM, DeGrado WF, Jo H, Gai F
• Actionable Activating Oncogenic ERBB2/HER2 Transmembrane and Juxtamembrane Domain Mutations.
  Cancer cell 2018 Pahuja KB, Nguyen TT, Jaiswal BS, Prabhash K, Thaker TM, Senger K, Chaudhuri S, Kljavin NM, Antony A, Phalke S, Kumar P, Mravic M, Stawiski EW, Vargas D, Durinck S, Gupta R, Khanna-Gupta A, Trabucco …
• Proximity-enhanced SuFEx chemical cross-linker for specific and multitargeting cross-linking mass spectrometry.
  Proceedings of the National Academy of Sciences of the United States of America 2018 Yang B, Wu H, Schnier PD, Liu Y, Liu J, Wang N, DeGrado WF, Wang L
• Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.
  Journal of the American Chemical Society 2018 Thomaston JL, Polizzi NF, Konstantinidi A, Wang J, Kolocouris A, DeGrado WF
• Spectroscopic and metal binding properties of a de novo metalloprotein binding a tetrazinc cluster.
  Biopolymers 2018 Chino M, Zhang SQ, Pirro F, Leone L, Maglio O, Lombardi A, DeGrado WF
• Building and Breaking Bonds via a Compact S-Propargyl-Cysteine to Chemically Control Enzymes and Modify Proteins.
  Angewandte Chemie (International ed. in English) 2018 Liu J, Cheng R, Wu H, Li S, Wang PG, DeGrado WF, Rozovsky S, Wang L
• Entry from the Lipid Bilayer: A Possible Pathway for Inhibition of a Peptide G Protein-Coupled Receptor by a Lipophilic Small Molecule.
  Biochemistry 2018 Bokoch MP, Jo H, Valcourt JR, Srinivasan Y, Pan AC, Capponi S, Grabe M, Dror RO, Shaw DE, DeGrado WF, Coughlin SR
• Designed peptides that assemble into cross-α amyloid-like structures.
  Nature chemical biology 2018 Zhang SQ, Huang H, Yang J, Kratochvil HT, Lolicato M, Liu Y, Shu X, Liu L, DeGrado WF
• Structure and Function of the Transmembrane Domain of NsaS, an Antibiotic Sensing Histidine Kinase in Staphylococcus aureus.
  Journal of the American Chemical Society 2018 Bhate MP, Lemmin T, Kuenze G, Mensa B, Ganguly S, Peters JM, Schmidt N, Pelton JG, Gross CA, Meiler J, DeGrado WF
• Peptide-Programmable Nanoparticle Superstructures with Tailored Electrocatalytic Activity.
  ACS nano 2018 Kang ES, Kim YT, Ko YS, Kim NH, Cho G, Huh YH, Kim JH, Nam J, Thach TT, Youn D, Kim YD, Yun WS, DeGrado WF, Kim SY, Hammond PT, Lee J, Kwon YU, Ha DH, Kim YH
• De novo designed transmembrane peptides activating the α5β1 integrin.
  Protein engineering, design & selection : PEDS 2018 Mravic M, Hu H, Lu Z, Bennett JS, Sanders CR, Orr AW, DeGrado WF
• Design of a Short Thermally Stable α-Helix Embedded in a Macrocycle.
  Chembiochem : a European journal of chemical biology 2018 Wu H, Acharyya A, Wu Y, Liu L, Jo H, Gai F, DeGrado WF
• De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles.
  Journal of the American Chemical Society 2018 Zhang SQ, Chino M, Liu L, Tang Y, Hu X, DeGrado WF, Lombardi A
• A long-lived Aβ oligomer resistant to fibrillization.
  Biopolymers 2018 Nick M, Wu Y, Schmidt NW, Prusiner SB, Stöhr J, DeGrado WF
• Structural heterogeneity and intersubject variability of Aβ in familial and sporadic Alzheimer's disease.
  Proceedings of the National Academy of Sciences of the United States of America 2018 Condello C, Lemmin T, Stöhr J, Nick M, Wu Y, Maxwell AM, Watts JC, Caro CD, Oehler A, Keene CD, Bird TD, van Duinen SG, Lannfelt L, Ingelsson M, Graff C, Giles K, DeGrado WF, Prusiner SB
• Spontaneous and specific chemical cross-linking in live cells to capture and identify protein interactions.
  Nature communications 2017 Yang B, Tang S, Ma C, Li ST, Shao GC, Dang B, DeGrado WF, Dong MQ, Wang PG, Ding S, Wang L
• Self-assembling dipeptide antibacterial nanostructures with membrane disrupting activity.
  Nature communications 2017 Schnaider L, Brahmachari S, Schmidt NW, Mensa B, Shaham-Niv S, Bychenko D, Adler-Abramovich L, Shimon LJW, Kolusheva S, DeGrado WF, Gazit E
• De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
  Proceedings of the National Academy of Sciences of the United States of America 2017 Dang B, Wu H, Mulligan VK, Mravic M, Wu Y, Lemmin T, Ford A, Silva DA, Baker D, DeGrado WF
• XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
  Proceedings of the National Academy of Sciences of the United States of America 2017 Thomaston JL, Woldeyes RA, Nakane T, Yamashita A, Tanaka T, Koiwai K, Brewster AS, Barad BA, Chen Y, Lemmin T, Uervirojnangkoorn M, Arima T, Kobayashi J, Masuda T, Suzuki M, Sugahara M, Sauter NK, …
• De novo design of a hyperstable non-natural protein-ligand complex with sub-Å accuracy.
  Nature chemistry 2017 Polizzi NF, Wu Y, Lemmin T, Maxwell AM, Zhang SQ, Rawson J, Beratan DN, Therien MJ, DeGrado WF
• Design of self-assembling transmembrane helical bundles to elucidate principles required for membrane protein folding and ion transport.
  Philosophical transactions of the Royal Society of London. Series B, Biological sciences 2017 Joh NH, Grigoryan G, Wu Y, DeGrado WF
• Zinc-binding structure of a catalytic amyloid from solid-state NMR.
  Proceedings of the National Academy of Sciences of the United States of America 2017 Lee M, Wang T, Makhlynets OV, Wu Y, Polizzi NF, Wu H, Gosavi PM, Stöhr J, Korendovych IV, DeGrado WF, Hong M
• Blue fluorescent amino acid for biological spectroscopy and microscopy.
  Proceedings of the National Academy of Sciences of the United States of America 2017 Hilaire MR, Ahmed IA, Lin CW, Jo H, DeGrado WF, Gai F
• Water Distribution, Dynamics, and Interactions with Alzheimer's β-Amyloid Fibrils Investigated by Solid-State NMR.
  Journal of the American Chemical Society 2017 Wang T, Jo H, DeGrado WF, Hong M
• Activation pH and Gating Dynamics of Influenza A M2 Proton Channel Revealed by Single-Molecule Spectroscopy.
  Angewandte Chemie (International ed. in English) 2017 Lin CW, Mensa B, Barniol-Xicota M, DeGrado WF, Gai F
• A 31-residue peptide induces aggregation of tau's microtubule-binding region in cells.
  Nature chemistry 2017 Stöhr J, Wu H, Nick M, Wu Y, Bhate M, Condello C, Johnson N, Rodgers J, Lemmin T, Acharya S, Becker J, Robinson K, Kelly MJS, Gai F, Stubbs G, Prusiner SB, DeGrado WF
• Stapled Voltage-Gated Calcium Channel (CaV) α-Interaction Domain (AID) Peptides Act As Selective Protein-Protein Interaction Inhibitors of CaV Function.
  ACS chemical neuroscience 2017 Findeisen F, Campiglio M, Jo H, Abderemane-Ali F, Rumpf CH, Pope L, Rossen ND, Flucher BE, DeGrado WF, Minor DL
• The accommodation index measures the perturbation associated with insertions and deletions in coiled-coils: Application to understand signaling in histidine kinases.
  Protein science : a publication of the Protein Society 2017 Schmidt NW, Grigoryan G, DeGrado WF
• Pharmacologic Blockade of αvβ1 Integrin Ameliorates Renal Failure and Fibrosis In Vivo.
  Journal of the American Society of Nephrology : JASN 2017 Chang Y, Lau WL, Jo H, Tsujino K, Gewin L, Reed NI, Atakilit A, Nunes ACF, DeGrado WF, Sheppard D
• An M2-V27A channel blocker demonstrates potent in vitro and in vivo antiviral activities against amantadine-sensitive and -resistant influenza A viruses.
  Antiviral research 2017 Hu Y, Musharrafieh R, Ma C, Zhang J, Smee DF, DeGrado WF, Wang J
• Targeting integrin α5β1 ameliorates severe airway hyperresponsiveness in experimental asthma.
  The Journal of clinical investigation 2016 Sundaram A, Chen C, Khalifeh-Soltani A, Atakilit A, Ren X, Qiu W, Jo H, DeGrado W, Huang X, Sheppard D
• Acid activation mechanism of the influenza A M2 proton channel.
  Proceedings of the National Academy of Sciences of the United States of America 2016 Liang R, Swanson JMJ, Madsen JJ, Hong M, DeGrado WF, Voth GA
• Infrared and fluorescence assessment of the hydration status of the tryptophan gate in the influenza A M2 proton channel.
  Physical chemistry chemical physics : PCCP 2016 Markiewicz BN, Lemmin T, Zhang W, Ahmed IA, Jo H, Fiorin G, Troxler T, DeGrado WF, Gai F
• Exploring N-Arylsulfonyl-l-proline Scaffold as a Platform for Potent and Selective αvβ1 Integrin Inhibitors.
  ACS medicinal chemistry letters 2016 Reed NI, Tang YZ, McIntosh J, Wu Y, Molnar KS, Civitavecchia A, Sheppard D, DeGrado WF, Jo H
• Structural Polymorphism of Alzheimer's β-Amyloid Fibrils as Controlled by an E22 Switch: A Solid-State NMR Study.
  Journal of the American Chemical Society 2016 Elkins MR, Wang T, Nick M, Jo H, Lemmin T, Prusiner SB, DeGrado WF, Stöhr J, Hong M
• Graphene Symmetry Amplified by Designed Peptide Self-Assembly.
  Biophysical journal 2016 Mustata GM, Kim YH, Zhang J, DeGrado WF, Grigoryan G, Wanunu M
• Crystal structure of the drug-resistant S31N influenza M2 proton channel.
  Protein science : a publication of the Protein Society 2016 Thomaston JL, DeGrado WF
• Photoactivatable protein labeling by singlet oxygen mediated reactions.
  Bioorganic & medicinal chemistry letters 2016 To TL, Medzihradszky KF, Burlingame AL, DeGrado WF, Jo H, Shu X
• Protein-directed self-assembly of a fullerene crystal.
  Nature communications 2016 Kim KH, Ko DK, Kim YT, Kim NH, Paul J, Zhang SQ, Murray CB, Acharya R, DeGrado WF, Kim YH, Grigoryan G
• Directly Activating the Integrin αIIbβ3 Initiates Outside-In Signaling by Causing αIIbβ3 Clustering.
  The Journal of biological chemistry 2016 Fong KP, Zhu H, Span LM, Moore DT, Yoon K, Tamura R, Yin H, DeGrado WF, Bennett JS
• Designed metalloprotein stabilizes a semiquinone radical.
  Nature chemistry 2016 Ulas G, Lemmin T, Wu Y, Gassner GT, DeGrado WF
• Discovery of Highly Potent Inhibitors Targeting the Predominant Drug-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel.
  Journal of medicinal chemistry 2016 Li F, Ma C, DeGrado WF, Wang J
• High-density grids for efficient data collection from multiple crystals.
  Acta crystallographica. Section D, Structural biology 2016 Baxter EL, Aguila L, Alonso-Mori R, Barnes CO, Bonagura CA, Brehmer W, Brunger AT, Calero G, Caradoc-Davies TT, Chatterjee R, Degrado WF, Fraser JS, Ibrahim M, Kern J, Kobilka BK, Kruse AC, Larsson KM…
• High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction.
  Proceedings of the National Academy of Sciences of the United States of America 2015 Thomaston JL, Alfonso-Prieto M, Woldeyes RA, Fraser JS, Klein ML, Fiorin G, DeGrado WF
• Systematic Perturbations of Binuclear Non-heme Iron Sites: Structure and Dioxygen Reactivity of de Novo Due Ferri Proteins.
  Biochemistry 2015 Snyder RA, Betzu J, Butch SE, Reig AJ, DeGrado WF, Solomon EI
• Molecular-Level Insight into the Differential Oxidase and Oxygenase Reactivities of de Novo Due Ferri Proteins.
  Journal of the American Chemical Society 2015 Snyder RA, Butch SE, Reig AJ, DeGrado WF, Solomon EI
• Artificial Diiron Enzymes with a De Novo Designed Four-Helix Bundle Structure.
  European journal of inorganic chemistry 2015 Chino M, Maglio O, Nastri F, Pavone V, DeGrado WF, Lombardi A
• The αvβ1 integrin plays a critical in vivo role in tissue fibrosis.
  Science translational medicine 2015 Reed NI, Jo H, Chen C, Tsujino K, Arnold TD, DeGrado WF, Sheppard D
• Signal transduction in histidine kinases: insights from new structures.
  Structure (London, England : 1993) 2015 Bhate MP, Molnar KS, Goulian M, DeGrado WF
• The Tyrosine Kinase c-Src Specifically Binds to the Active Integrin αIIbβ3 to Initiate Outside-in Signaling in Platelets.
  The Journal of biological chemistry 2015 Wu Y, Span LM, Nygren P, Zhu H, Moore DT, Cheng H, Roder H, DeGrado WF, Bennett JS
• The membrane- and soluble-protein helix-helix interactome: similar geometry via different interactions.
  Structure (London, England : 1993) 2015 Zhang SQ, Kulp DW, Schramm CA, Mravic M, Samish I, DeGrado WF
• Computational design and experimental characterization of peptides intended for pH-dependent membrane insertion and pore formation.
  ACS chemical biology 2015 Zhang Y, Bartz R, Grigoryan G, Bryant M, Aaronson J, Beck S, Innocent N, Klein L, Procopio W, Tucker T, Jadhav V, Tellers DM, DeGrado WF
• C-terminal juxtamembrane region of full-length M2 protein forms a membrane surface associated amphipathic helix.
  Protein science : a publication of the Protein Society 2015 Huang S, Green B, Thompson M, Chen R, Thomaston J, DeGrado WF, Howard KP
• De novo design of a transmembrane Zn²⁺-transporting four-helix bundle.
  Science (New York, N.Y.) 2014 Joh NH, Wang T, Bhate MP, Acharya R, Wu Y, Grabe M, Hong M, Grigoryan G, DeGrado WF
• Flipping in the pore: discovery of dual inhibitors that bind in different orientations to the wild-type versus the amantadine-resistant S31N mutant of the influenza A virus M2 proton channel.
  Journal of the American Chemical Society 2014 Wu Y, Canturk B, Jo H, Ma C, Gianti E, Klein ML, Pinto LH, Lamb RA, Fiorin G, Wang J, DeGrado WF
• Specific aromatic foldamers potently inhibit spontaneous and seeded Aβ42 and Aβ43 fibril assembly.
  The Biochemical journal 2014 Seither KM, McMahon HA, Singh N, Wang H, Cushman-Nick M, Montalvo GL, DeGrado WF, Shorter J
• Hydrogen-bonded water molecules in the M2 channel of the influenza A virus guide the binding preferences of ammonium-based inhibitors.
  The journal of physical chemistry. B 2014 Gianti E, Carnevale V, DeGrado WF, Klein ML, Fiorin G
• Proton release from the histidine-tetrad in the M2 channel of the influenza A virus.
  The journal of physical chemistry. B 2014 Dong H, Fiorin G, DeGrado WF, Klein ML
• A real-time all-atom structural search engine for proteins.
  PLoS computational biology 2014 Gonzalez G, Hannigan B, DeGrado WF
• Cys-scanning disulfide crosslinking and bayesian modeling probe the transmembrane signaling mechanism of the histidine kinase, PhoQ.
  Structure (London, England : 1993) 2014 Molnar KS, Bonomi M, Pellarin R, Clinthorne GD, Gonzalez G, Goldberg SD, Goulian M, Sali A, DeGrado WF
• Catalytic efficiency of designed catalytic proteins.
  Current opinion in structural biology 2014 Korendovych IV, DeGrado WF
• Distinct synthetic Aβ prion strains producing different amyloid deposits in bigenic mice.
  Proceedings of the National Academy of Sciences of the United States of America 2014 Stöhr J, Condello C, Watts JC, Bloch L, Oehler A, Nick M, DeArmond SJ, Giles K, DeGrado WF, Prusiner SB
• Easily accessible polycyclic amines that inhibit the wild-type and amantadine-resistant mutants of the M2 channel of influenza A virus.
  Journal of medicinal chemistry 2014 Rey-Carrizo M, Barniol-Xicota M, Ma C, Frigolé-Vivas M, Torres E, Naesens L, Llabrés S, Juárez-Jiménez J, Luque FJ, DeGrado WF, Lamb RA, Pinto LH, Vázquez S
• 2D IR spectroscopy reveals the role of water in the binding of channel-blocking drugs to the influenza M2 channel.
  The Journal of chemical physics 2014 Ghosh A, Wang J, Moroz YS, Korendovych IV, Zanni M, DeGrado WF, Gai F, Hochstrasser RM
• Comparative mechanistic studies of brilacidin, daptomycin, and the antimicrobial peptide LL16.
  Antimicrobial agents and chemotherapy 2014 Mensa B, Howell GL, Scott R, DeGrado WF
• Crystal structure of an amphiphilic foldamer reveals a 48-mer assembly comprising a hollow truncated octahedron.
  Nature communications 2014 Pavone V, Zhang SQ, Merlino A, Lombardi A, Wu Y, DeGrado WF
• Short peptides self-assemble to produce catalytic amyloids.
  Nature chemistry 2014 Rufo CM, Moroz YS, Moroz OV, Stöhr J, Smith TA, Hu X, DeGrado WF, Korendovych IV
• De novo design of self-assembling foldamers that inhibit heparin-protein interactions.
  ACS chemical biology 2014 Montalvo GL, Zhang Y, Young TM, Costanzo MJ, Freeman KB, Wang J, Clements DJ, Magavern E, Kavash RW, Scott RW, Liu D, Degrado WF
• Structural Stability and Binding Strength of a Designed Peptide-Carbon Nanotube Hybrid.
  The journal of physical chemistry. C, Nanomaterials and interfaces 2013 Roxbury D, Zhang SQ, Mittal J, Degrado WF, Jagota A
• Mechanistic insights from functional characterization of an unnatural His37 mutant of the influenza A/M2 protein.
  Biochimica et biophysica acta 2013 Polishchuk AL, Cristian L, Pinto LH, Lear JD, DeGrado WF
• Slow folding-unfolding kinetics of an octameric β-peptide bundle.
  ACS chemical biology 2013 Montalvo GL, Gai F, Roder H, DeGrado WF
• Assessment of local friction in protein folding dynamics using a helix cross-linker.
  The journal of physical chemistry. B 2013 Markiewicz BN, Jo H, Culik RM, DeGrado WF, Gai F
• 3-Azatetracyclo[5.2.1.1(5,8).0(1,5)]undecane derivatives: from wild-type inhibitors of the M2 ion channel of influenza A virus to derivatives with potent activity against the V27A mutant.
  Journal of medicinal chemistry 2013 Rey-Carrizo M, Torres E, Ma C, Barniol-Xicota M, Wang J, Wu Y, Naesens L, DeGrado WF, Lamb RA, Pinto LH, Vázquez S
• Template-constrained cyclic sulfopeptide HIV-1 entry inhibitors.
  Organic & biomolecular chemistry 2013 Rudick JG, Laakso MM, Schloss AC, DeGrado WF
• Asp44 stabilizes the Trp41 gate of the M2 proton channel of influenza A virus.
  Structure (London, England : 1993) 2013 Ma C, Fiorin G, Carnevale V, Wang J, Lamb RA, Klein ML, Wu Y, Pinto LH, DeGrado WF
• Influenza virus A M2 protein generates negative Gaussian membrane curvature necessary for budding and scission.
  Journal of the American Chemical Society 2013 Schmidt NW, Mishra A, Wang J, DeGrado WF, Wong GC
• Computational de novo design and characterization of a protein that selectively binds a highly hyperpolarizable abiological chromophore.
  Journal of the American Chemical Society 2013 Fry HC, Lehmann A, Sinks LE, Asselberghs I, Tronin A, Krishnan V, Blasie JK, Clays K, DeGrado WF, Saven JG, Therien MJ
• Nanosecond Dynamics of InfluenzaA/M2TM and an Amantadine Resistant Mutant Probed by Time-Dependent Red Shifts of a Native Tryptophan.
  Chemical physics 2013 Nanda V, Cristian L, Toptygin D, Brand L, Degrado WF
• Exploring Histidine Conformations in the M2 Channel Lumen of the Influenza A Virus at Neutral pH via Molecular Simulations.
  The journal of physical chemistry letters 2013 Dong H, Fiorin G, Degrado WF, Klein ML
• Nature-inspired design of motif-specific antibody scaffolds.
  Nature biotechnology 2013 Koerber JT, Thomsen ND, Hannigan BT, Degrado WF, Wells JA
• Drug-induced conformational and dynamical changes of the S31N mutant of the influenza M2 proton channel investigated by solid-state NMR.
  Journal of the American Chemical Society 2013 Williams JK, Tietze D, Wang J, Wu Y, DeGrado WF, Hong M
• Discovery of novel dual inhibitors of the wild-type and the most prevalent drug-resistant mutant, S31N, of the M2 proton channel from influenza A virus.
  Journal of medicinal chemistry 2013 Wang J, Ma C, Wang J, Jo H, Canturk B, Fiorin G, Pinto LH, Lamb RA, Klein ML, DeGrado WF
• Inhibitors of the influenza A virus M2 proton channel discovered using a high-throughput yeast growth restoration assay.
  PloS one 2013 Balgi AD, Wang J, Cheng DY, Ma C, Pfeifer TA, Shimizu Y, Anderson HJ, Pinto LH, Lamb RA, DeGrado WF, Roberge M
• Assembly of the transmembrane domain of E. coli PhoQ histidine kinase: implications for signal transduction from molecular simulations.
  PLoS computational biology 2013 Lemmin T, Soto CS, Clinthorne G, DeGrado WF, Dal Peraro M
• An assay suitable for high throughput screening of anti-influenza drugs.
  PloS one 2013 Mao L, Wang J, DeGrado WF, Inouye M
• Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus.
  Proceedings of the National Academy of Sciences of the United States of America 2013 Wang J, Wu Y, Ma C, Fiorin G, Wang J, Pinto LH, Lamb RA, Klein ML, Degrado WF
• Agrobacterium tumefaciens recognizes its host environment using ChvE to bind diverse plant sugars as virulence signals.
  Proceedings of the National Academy of Sciences of the United States of America 2012 Hu X, Zhao J, DeGrado WF, Binns AN
• Platelet factor 4 activity against P. falciparum and its translation to nonpeptidic mimics as antimalarials.
  Cell host & microbe 2012 Love MS, Millholland MG, Mishra S, Kulkarni S, Freeman KB, Pan W, Kavash RW, Costanzo MJ, Jo H, Daly TM, Williams DR, Kowalska MA, Bergman LW, Poncz M, DeGrado WF, Sinnis P, Scott RW, Greenbaum DC
• Detection of drug-induced conformational change of a transmembrane protein in lipid bilayers using site-directed spin labeling.
  Protein science : a publication of the Protein Society 2012 Thomaston JL, Nguyen PA, Brown EC, Upshur MA, Wang J, DeGrado WF, Howard KP
• Development of α-helical calpain probes by mimicking a natural protein-protein interaction.
  Journal of the American Chemical Society 2012 Jo H, Meinhardt N, Wu Y, Kulkarni S, Hu X, Low KE, Davies PL, DeGrado WF, Greenbaum DC
• Structural basis for proton conduction and inhibition by the influenza M2 protein.
  Protein science : a publication of the Protein Society 2012 Hong M, DeGrado WF
• Alteration of the oxygen-dependent reactivity of de novo Due Ferri proteins.
  Nature chemistry 2012 Reig AJ, Pires MM, Snyder RA, Wu Y, Jo H, Kulp DW, Butch SE, Calhoun JR, Szyperski T, Szyperski TG, Solomon EI, DeGrado WF
• Knowledge-based potential for positioning membrane-associated structures and assessing residue-specific energetic contributions.
  Structure (London, England : 1993) 2012 Schramm CA, Hannigan BT, Donald JE, Keasar C, Saven JG, Degrado WF, Samish I
• Using thioamides to site-specifically interrogate the dynamics of hydrogen bond formation in β-sheet folding.
  Journal of the American Chemical Society 2012 Culik RM, Jo H, DeGrado WF, Gai F
• Computational design of a protein crystal.
  Proceedings of the National Academy of Sciences of the United States of America 2012 Lanci CJ, MacDermaid CM, Kang SG, Acharya R, North B, Yang X, Qiu XJ, DeGrado WF, Saven JG
• Inhibition of integrin α2β1 ameliorates glomerular injury.
  Journal of the American Society of Nephrology : JASN 2012 Borza CM, Su Y, Chen X, Yu L, Mont S, Chetyrkin S, Voziyan P, Hudson BG, Billings PC, Jo H, Bennett JS, Degrado WF, Eckes B, Zent R, Pozzi A
• Neutralizing epitopes in the membrane-proximal external region of HIV-1 gp41 are influenced by the transmembrane domain and the plasma membrane.
  Journal of virology 2012 Montero M, Gulzar N, Klaric KA, Donald JE, Lepik C, Wu S, Tsai S, Julien JP, Hessell AJ, Wang S, Lu S, Burton DR, Pai EF, Degrado WF, Scott JK
• Affinity of talin-1 for the β3-integrin cytosolic domain is modulated by its phospholipid bilayer environment.
  Proceedings of the National Academy of Sciences of the United States of America 2011 Moore DT, Nygren P, Jo H, Boesze-Battaglia K, Bennett JS, DeGrado WF
• Capture and imaging of a prehairpin fusion intermediate of the paramyxovirus PIV5.
  Proceedings of the National Academy of Sciences of the United States of America 2011 Kim YH, Donald JE, Grigoryan G, Leser GP, Fadeev AY, Lamb RA, DeGrado WF
• A photon-free approach to transmembrane protein structure determination.
  Journal of molecular biology 2011 Soto CS, Hannigan BT, DeGrado WF
• Antibacterial mechanism of action of arylamide foldamers.
  Antimicrobial agents and chemotherapy 2011 Mensa B, Kim YH, Choi S, Scott R, Caputo GA, DeGrado WF
• Exploring organosilane amines as potent inhibitors and structural probes of influenza a virus M2 proton channel.
  Journal of the American Chemical Society 2011 Wang J, Ma C, Wu Y, Lamb RA, Pinto LH, DeGrado WF
• Computational design of a β-peptide that targets transmembrane helices.
  Journal of the American Chemical Society 2011 Shandler SJ, Korendovych IV, Moore DT, Smith-Dupont KB, Streu CN, Litvinov RI, Billings PC, Gai F, Bennett JS, DeGrado WF
• Molecular dynamics simulation directed rational design of inhibitors targeting drug-resistant mutants of influenza A virus M2.
  Journal of the American Chemical Society 2011 Wang J, Ma C, Fiorin G, Carnevale V, Wang T, Hu F, Lamb RA, Pinto LH, Hong M, Klein ML, DeGrado WF
• Environment- and sequence-dependence of helical type in membrane-spanning peptides composed of β3-amino acids.
  Organic letters 2011 Korendovych IV, Shandler SJ, Montalvo GL, DeGrado WF
• Residue-specific vibrational echoes yield 3D structures of a transmembrane helix dimer.
  Science (New York, N.Y.) 2011 Remorino A, Korendovych IV, Wu Y, DeGrado WF, Hochstrasser RM
• Computational design of virus-like protein assemblies on carbon nanotube surfaces.
  Science (New York, N.Y.) 2011 Grigoryan G, Kim YH, Acharya R, Axelrod K, Jain RM, Willis L, Drndic M, Kikkawa JM, DeGrado WF
• Exploring the Requirements for the Hydrophobic Scaffold and Polar Amine in inhibitors of M2 from Influenza A Virus.
  ACS medicinal chemistry letters 2011 Wang J, Ma C, Balannik V, Pinto LH, Lamb RA, Degrado WF
• Design of a switchable eliminase.
  Proceedings of the National Academy of Sciences of the United States of America 2011 Korendovych IV, Kulp DW, Wu Y, Cheng H, Roder H, DeGrado WF
• Exploring the size limit of templates for inhibitors of the M2 ion channel of influenza A virus.
  Journal of medicinal chemistry 2011 Duque MD, Ma C, Torres E, Wang J, Naesens L, Juárez-Jiménez J, Camps P, Luque FJ, DeGrado WF, Lamb RA, Pinto LH, Vázquez S
• Tidal surge in the M2 proton channel, sensed by 2D IR spectroscopy.
  Proceedings of the National Academy of Sciences of the United States of America 2011 Ghosh A, Qiu J, DeGrado WF, Hochstrasser RM
• Photoinduced electron transfer and fluorophore motion as a probe of the conformational dynamics of membrane proteins: application to the influenza a M2 proton channel.
  Langmuir : the ACS journal of surfaces and colloids 2011 Rogers JM, Polishchuk AL, Guo L, Wang J, DeGrado WF, Gai F
• Specific binding of adamantane drugs and direction of their polar amines in the pore of the influenza M2 transmembrane domain in lipid bilayers and dodecylphosphocholine micelles determined by NMR spectroscopy.
  Journal of the American Chemical Society 2011 Cady SD, Wang J, Wu Y, DeGrado WF, Hong M
• Design of a three-helix bundle capable of binding heavy metals in a triscysteine environment.
  Angewandte Chemie (International ed. in English) 2011 Chakraborty S, Kravitz JY, Thulstrup PW, Hemmingsen L, DeGrado WF, Pecoraro VL
• Transmembrane orientation and possible role of the fusogenic peptide from parainfluenza virus 5 (PIV5) in promoting fusion.
  Proceedings of the National Academy of Sciences of the United States of America 2011 Donald JE, Zhang Y, Fiorin G, Carnevale V, Slochower DR, Gai F, Klein ML, DeGrado WF
• Structural and dynamic mechanisms for the function and inhibition of the M2 proton channel from influenza A virus.
  Current opinion in structural biology 2011 Wang J, Qiu JX, Soto C, DeGrado WF
• Salt bridges: geometrically specific, designable interactions.
  Proteins 2011 Donald JE, Kulp DW, DeGrado WF
• Transmembrane communication: general principles and lessons from the structure and function of the M2 proton channel, K⁺ channels, and integrin receptors.
  Annual review of biochemistry 2011 Grigoryan G, Moore DT, DeGrado WF
• NMR analysis of the alphaIIb beta3 cytoplasmic interaction suggests a mechanism for integrin regulation.
  Proceedings of the National Academy of Sciences of the United States of America 2010 Metcalf DG, Moore DT, Wu Y, Kielec JM, Molnar K, Valentine KG, Wand AJ, Bennett JS, DeGrado WF
• Lipid membranes supported on optically transparent nanosilicas: synthesis and application in characterization of protein-membrane interactions.
  Journal of colloid and interface science 2010 Fadeev AY, DeGrado WF
• Selective incorporation of nitrile-based infrared probes into proteins via cysteine alkylation.
  Biochemistry 2010 Jo H, Culik RM, Korendovych IV, Degrado WF, Gai F
• De novo design and molecular assembly of a transmembrane diporphyrin-binding protein complex.
  Journal of the American Chemical Society 2010 Korendovych IV, Senes A, Kim YH, Lear JD, Fry HC, Therien MJ, Blasie JK, Walker FA, Degrado WF
• A pH-dependent conformational ensemble mediates proton transport through the influenza A/M2 protein.
  Biochemistry 2010 Polishchuk AL, Lear JD, Ma C, Lamb RA, Pinto LH, Degrado WF
• Role of the conformational rigidity in the design of biomimetic antimicrobial compounds.
  Angewandte Chemie (International ed. in English) 2010 Ivankin A, Livne L, Mor A, Caputo GA, Degrado WF, Meron M, Lin B, Gidalevitz D
• Structural biology. The flu's proton escort.
  Science (New York, N.Y.) 2010 Fiorin G, Carnevale V, DeGrado WF
• Multiple Proton Confinement in the M2 Channel from the Influenza A Virus.
  The journal of physical chemistry. C, Nanomaterials and interfaces 2010 Carnevale V, Fiorin G, Levine BG, Degrado WF, Klein ML
• Computational design of a self-assembling β-peptide oligomer.
  Organic letters 2010 Korendovych IV, Kim YH, Ryan AH, Lear JD, Degrado WF, Shandler SJ
• Identification of interacting hot spots in the beta3 integrin stalk using comprehensive interface design.
  The Journal of biological chemistry 2010 Donald JE, Zhu H, Litvinov RI, DeGrado WF, Bennett JS
• Probing designability via a generalized model of helical bundle geometry.
  Journal of molecular biology 2010 Grigoryan G, Degrado WF
• The effects of pK(a) tuning on the thermodynamics and kinetics of folding: design of a solvent-shielded carboxylate pair at the a-position of a coiled-coil.
  Biophysical journal 2010 Lau WL, Degrado WF, Roder H
• Proton and cation transport activity of the M2 proton channel from influenza A virus.
  Proceedings of the National Academy of Sciences of the United States of America 2010 Leiding T, Wang J, Martinsson J, DeGrado WF, Arsköld SP
• Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus.
  Proceedings of the National Academy of Sciences of the United States of America 2010 Acharya R, Carnevale V, Fiorin G, Levine BG, Polishchuk AL, Balannik V, Samish I, Lamb RA, Pinto LH, DeGrado WF, Klein ML
• Orientation, dynamics, and lipid interaction of an antimicrobial arylamide investigated by 19F and 31P solid-state NMR spectroscopy.
  Journal of the American Chemical Society 2010 Su Y, DeGrado WF, Hong M
• Specificity for homooligomer versus heterooligomer formation in integrin transmembrane helices.
  Journal of molecular biology 2010 Zhu H, Metcalf DG, Streu CN, Billings PC, Degrado WF, Bennett JS
• Discovery of potent small-molecule inhibitors of multidrug-resistant Plasmodium falciparum using a novel miniaturized high-throughput luciferase-based assay.
  Antimicrobial agents and chemotherapy 2010 Lucumi E, Darling C, Jo H, Napper AD, Chandramohanadas R, Fisher N, Shone AE, Jing H, Ward SA, Biagini GA, DeGrado WF, Diamond SL, Greenbaum DC
• Development of a rotamer library for use in beta-peptide foldamer computational design.
  Journal of the American Chemical Society 2010 Shandler SJ, Shapovalov MV, Dunbrack RL, DeGrado WF
• Infrared signature and folding dynamics of a helical beta-peptide.
  Journal of the American Chemical Society 2010 Montalvo G, Waegele MM, Shandler S, Gai F, DeGrado WF
• Transmembrane polar interactions are required for signaling in the Escherichia coli sensor kinase PhoQ.
  Proceedings of the National Academy of Sciences of the United States of America 2010 Goldberg SD, Clinthorne GD, Goulian M, DeGrado WF
• Computational design and elaboration of a de novo heterotetrameric alpha-helical protein that selectively binds an emissive abiological (porphinato)zinc chromophore.
  Journal of the American Chemical Society 2010 Fry HC, Lehmann A, Saven JG, DeGrado WF, Therien MJ
• Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers.
  Nature 2010 Cady SD, Schmidt-Rohr K, Wang J, Soto CS, Degrado WF, Hong M
• Functional studies and modeling of pore-lining residue mutants of the influenza a virus M2 ion channel.
  Biochemistry 2010 Balannik V, Carnevale V, Fiorin G, Levine BG, Lamb RA, Klein ML, Degrado WF, Pinto LH
• De novo design of antimicrobial polymers, foldamers, and small molecules: from discovery to practical applications.
  Accounts of chemical research 2010 Tew GN, Scott RW, Klein ML, Degrado WF
• Design and pharmacological characterization of inhibitors of amantadine-resistant mutants of the M2 ion channel of influenza A virus.
  Biochemistry 2009 Balannik V, Wang J, Ohigashi Y, Jing X, Magavern E, Lamb RA, Degrado WF, Pinto LH
• Consensus motif for integrin transmembrane helix association.
  Proceedings of the National Academy of Sciences of the United States of America 2009 Berger BW, Kulp DW, Span LM, DeGrado JL, Billings PC, Senes A, Bennett JS, DeGrado WF
• Solid-supported membrane technology for the investigation of the influenza A virus M2 channel activity.
  Pflugers Archiv : European journal of physiology 2009 Balannik V, Obrdlik P, Inayat S, Steensen C, Wang J, Rausch JM, DeGrado WF, Kelety B, Pinto LH
• An artificial di-iron oxo-protein with phenol oxidase activity.
  Nature chemical biology 2009 Faiella M, Andreozzi C, de Rosales RT, Pavone V, Maglio O, Nastri F, DeGrado WF, Lombardi A
• A key role for the integrin alpha2beta1 in experimental and developmental angiogenesis.
  The American journal of pathology 2009 San Antonio JD, Zoeller JJ, Habursky K, Turner K, Pimtong W, Burrows M, Choi S, Basra S, Bennett JS, DeGrado WF, Iozzo RV
• Experimental and computational evaluation of forces directing the association of transmembrane helices.
  Journal of the American Chemical Society 2009 Zhang Y, Kulp DW, Lear JD, DeGrado WF
• Engineering and design: editorial overview.
  Current opinion in structural biology 2009 Kuhlman B, DeGrado WF
• Molecular basis of ChvE function in sugar binding, sugar utilization, and virulence in Agrobacterium tumefaciens.
  Journal of bacteriology 2009 He F, Nair GR, Soto CS, Chang Y, Hsu L, Ronzone E, DeGrado WF, Binns AN
• Identification of the functional core of the influenza A virus A/M2 proton-selective ion channel.
  Proceedings of the National Academy of Sciences of the United States of America 2009 Ma C, Polishchuk AL, Ohigashi Y, Stouffer AL, Schön A, Magavern E, Jing X, Lear JD, Freire E, Lamb RA, DeGrado WF, Pinto LH
• Discovery of spiro-piperidine inhibitors and their modulation of the dynamics of the M2 proton channel from influenza A virus.
  Journal of the American Chemical Society 2009 Wang J, Cady SD, Balannik V, Pinto LH, DeGrado WF, Hong M
• Engineered single- and multi-cell chemotaxis pathways in E. coli.
  Molecular systems biology 2009 Goldberg SD, Derr P, DeGrado WF, Goulian M
• Multiple approaches converge on the structure of the integrin alphaIIb/beta3 transmembrane heterodimer.
  Journal of molecular biology 2009 Metcalf DG, Kulp DW, Bennett JS, DeGrado WF
• De novo design and in vivo activity of conformationally restrained antimicrobial arylamide foldamers.
  Proceedings of the National Academy of Sciences of the United States of America 2009 Choi S, Isaacs A, Clements D, Liu D, Kim H, Scott RW, Winkler JD, DeGrado WF
• Using two fluorescent probes to dissect the binding, insertion, and dimerization kinetics of a model membrane peptide.
  Journal of the American Chemical Society 2009 Tang J, Yin H, Qiu J, Tucker MJ, DeGrado WF, Gai F
• Metal-binding dependent disruption of membranes by designed helices.
  Journal of the American Chemical Society 2009 Signarvic RS, Degrado WF
• A one-dimensional free energy surface does not account for two-probe folding kinetics of protein alpha(3)D.
  The Journal of chemical physics 2009 Liu F, Dumont C, Zhu Y, DeGrado WF, Gai F, Gruebele M
• Molecular dynamics calculations suggest a conduction mechanism for the M2 proton channel from influenza A virus.
  Proceedings of the National Academy of Sciences of the United States of America 2009 Khurana E, Dal Peraro M, DeVane R, Vemparala S, DeGrado WF, Klein ML
• Small-molecule inhibitors of integrin alpha2beta1 that prevent pathological thrombus formation via an allosteric mechanism.
  Proceedings of the National Academy of Sciences of the United States of America 2009 Miller MW, Basra S, Kulp DW, Billings PC, Choi S, Beavers MP, McCarty OJ, Zou Z, Kahn ML, Bennett JS, DeGrado WF
• Spectroscopic definition of the biferrous and biferric sites in de novo designed four-helix bundle DFsc peptides: implications for O2 reactivity of binuclear non-heme iron enzymes.
  Biochemistry 2009 Bell CB, Calhoun JR, Bobyr E, Wei PP, Hedman B, Hodgson KO, Degrado WF, Solomon EI
• The role of hydrophobicity in the antimicrobial and hemolytic activities of polymethacrylate derivatives.
  Chemistry (Weinheim an der Bergstrasse, Germany) 2009 Kuroda K, Caputo GA, DeGrado WF
• Functional analysis of the transmembrane domain in paramyxovirus F protein-mediated membrane fusion.
  Journal of molecular biology 2008 Bissonnette ML, Donald JE, DeGrado WF, Jardetzky TS, Lamb RA
• De novo designed synthetic mimics of antimicrobial peptides.
  Current opinion in biotechnology 2008 Scott RW, DeGrado WF, Tew GN
• Species differences in small molecule binding to alpha IIb beta 3 are the result of sequence differences in 2 loops of the alpha IIb beta propeller.
  Blood 2008 Basani RB, Zhu H, Thornton MA, Soto CS, Degrado WF, Kowalska MA, Bennett JS, Poncz M
• Investigation of an unnatural amino acid for use as a resonance Raman probe: Detection limits, solvent and temperature dependence of the νC≡N band of 4-cyanophenylalanine.
  Journal of Raman spectroscopy : JRS 2008 Weeks CL, Polishchuk A, Getahun Z, Degrado WF, Spiro TG
• pH-induced conformational change of the influenza M2 protein C-terminal domain.
  Biochemistry 2008 Nguyen PA, Soto CS, Polishchuk A, Caputo GA, Tatko CD, Ma C, Ohigashi Y, Pinto LH, DeGrado WF, Howard KP
• Using alpha-helical coiled-coils to design nanostructured metalloporphyrin arrays.
  Journal of the American Chemical Society 2008 McAllister KA, Zou H, Cochran FV, Bender GM, Senes A, Fry HC, Nanda V, Keenan PA, Lear JD, Saven JG, Therien MJ, Blasie JK, DeGrado WF
• Computationally designed peptide inhibitors of protein-protein interactions in membranes.
  Biochemistry 2008 Caputo GA, Litvinov RI, Li W, Bennett JS, Degrado WF, Yin H
• New design of helix bundle peptide-polymer conjugates.
  Biomacromolecules 2008 Shu JY, Tan C, DeGrado WF, Xu T
• Modest membrane hydrogen bonds deliver rich results.
  Nature chemical biology 2008 Grigoryan G, Degrado WF
• Protein-protein interactions in the membrane: sequence, structural, and biological motifs.
  Structure (London, England : 1993) 2008 Moore DT, Berger BW, DeGrado WF
• The interplay of functional tuning, drug resistance, and thermodynamic stability in the evolution of the M2 proton channel from the influenza A virus.
  Structure (London, England : 1993) 2008 Stouffer AL, Ma C, Cristian L, Ohigashi Y, Lamb RA, Lear JD, Pinto LH, DeGrado WF
• Oxygen reactivity of the biferrous site in the de novo designed four helix bundle peptide DFsc: nature of the "intermediate" and reaction mechanism.
  Journal of the American Chemical Society 2008 Calhoun JR, Bell CB, Smith TJ, Thamann TJ, DeGrado WF, Solomon EI
• Determination of the physiological dimer interface of the PhoQ sensor domain.
  Journal of molecular biology 2008 Goldberg SD, Soto CS, Waldburger CD, Degrado WF
• Identification of the pore-lining residues of the BM2 ion channel protein of influenza B virus.
  The Journal of biological chemistry 2008 Ma C, Soto CS, Ohigashi Y, Taylor A, Bournas V, Glawe B, Udo MK, Degrado WF, Lamb RA, Pinto LH
• Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.
  Structure (London, England : 1993) 2008 Calhoun JR, Liu W, Spiegel K, Dal Peraro M, Klein ML, Valentine KG, Wand AJ, DeGrado WF
• Structural basis for the function and inhibition of an influenza virus proton channel.
  Nature 2008 Stouffer AL, Acharya R, Salom D, Levine AS, Di Costanzo L, Soto CS, Tereshko V, Nanda V, Stayrook S, DeGrado WF
• Role of helix nucleation in the kinetics of binding of mastoparan X to phospholipid bilayers.
  Biochemistry 2007 Tang J, Signarvic RS, DeGrado WF, Gai F
• Small molecule inhibitors of integrin alpha2beta1.
  Journal of medicinal chemistry 2007 Choi S, Vilaire G, Marcinkiewicz C, Winkler JD, Bennett JS, DeGrado WF
• Enthalpic and entropic stages in alpha-helical peptide unfolding, from laser T-jump/UV Raman spectroscopy.
  Journal of the American Chemical Society 2007 Balakrishnan G, Hu Y, Bender GM, Getahun Z, DeGrado WF, Spiro TG
• Site-specific hydration status of an amphipathic peptide in AOT reverse micelles.
  Langmuir : the ACS journal of surfaces and colloids 2007 Mukherjee S, Chowdhury P, DeGrado WF, Gai F
• De novo design of a single-chain diphenylporphyrin metalloprotein.
  Journal of the American Chemical Society 2007 Bender GM, Lehmann A, Zou H, Cheng H, Fry HC, Engel D, Therien MJ, Blasie JK, Roder H, Saven JG, DeGrado WF
• Energy and electron transfer in enhanced two-photon-absorbing systems with triplet cores.
  The journal of physical chemistry. A 2007 Finikova OS, Troxler T, Senes A, DeGrado WF, Hochstrasser RM, Vinogradov SA
• Foldamers as versatile frameworks for the design and evolution of function.
  Nature chemical biology 2007 Goodman CM, Choi S, Shandler S, DeGrado WF
• Mutagenesis data in the automated prediction of transmembrane helix dimers.
  Proteins 2007 Metcalf DG, Law PB, DeGrado WF
• Determining the orientation of uniaxially rotating membrane proteins using unoriented samples: a 2H, 13C, AND 15N solid-state NMR investigation of the dynamics and orientation of a transmembrane helical bundle.
  Journal of the American Chemical Society 2007 Cady SD, Goodman C, Tatko CD, DeGrado WF, Hong M
• Adhesion of MC3T3-E1 cells to RGD peptides of different flanking residues: detachment strength and correlation with long-term cellular function.
  Journal of biomedical materials research. Part A 2007 Lee MH, Adams CS, Boettiger D, Degrado WF, Shapiro IM, Composto RJ, Ducheyne P
• Computational design of peptides that target transmembrane helices.
  Science (New York, N.Y.) 2007 Yin H, Slusky JS, Berger BW, Walters RS, Vilaire G, Litvinov RI, Lear JD, Caputo GA, Bennett JS, DeGrado WF
• Interactions of ADP-stimulated human platelets with PEGylated polystyrene substrates prepared by surface amidation.
  Colloids and surfaces. B, Biointerfaces 2007 Wang PC, Vilaire G, DeGrado WF, Bennett JS
• The leech product saratin is a potent inhibitor of platelet integrin alpha2beta1 and von Willebrand factor binding to collagen.
  The FEBS journal 2007 White TC, Berny MA, Robinson DK, Yin H, DeGrado WF, Hanson SR, McCarty OJ
• Amide vibrations are delocalized across the hydrophobic interface of a transmembrane helix dimer.
  Proceedings of the National Academy of Sciences of the United States of America 2006 Fang C, Senes A, Cristian L, DeGrado WF, Hochstrasser RM
• Modeling the charge distribution at metal sites in proteins for molecular dynamics simulations.
  Journal of structural biology 2006 Dal Peraro M, Spiegel K, Lamoureux G, De Vivo M, DeGrado WF, Klein ML
• Activation of platelet alphaIIbbeta3 by an exogenous peptide corresponding to the transmembrane domain of alphaIIb.
  The Journal of biological chemistry 2006 Yin H, Litvinov RI, Vilaire G, Zhu H, Li W, Caputo GA, Moore DT, Lear JD, Weisel JW, Degrado WF, Bennett JS
• E(z), a depth-dependent potential for assessing the energies of insertion of amino acid side-chains into membranes: derivation and applications to determining the orientation of transmembrane and interfacial helices.
  Journal of molecular biology 2006 Senes A, Chadi DC, Law PB, Walters RF, Nanda V, Degrado WF
• Truncation of a cross-linked GCN4-p1 coiled coil leads to ultrafast folding.
  Biochemistry 2006 Bunagan MR, Cristian L, DeGrado WF, Gai F
• Helix-packing motifs in membrane proteins.
  Proceedings of the National Academy of Sciences of the United States of America 2006 Walters RF, DeGrado WF
• The structure of a designed diiron(III) protein: implications for cofactor stabilization and catalysis.
  Angewandte Chemie (International ed. in English) 2006 Wade H, Stayrook SE, Degrado WF
• Arylamide derivatives as allosteric inhibitors of the integrin alpha2beta1/type I collagen interaction.
  Bioorganic & medicinal chemistry letters 2006 Yin H, Gerlach LO, Miller MW, Moore DT, Liu D, Vilaire G, Bennett JS, DeGrado WF
• Probing Membrane Insertion Activity of Antimicrobial Polymers via Coarse-grain Molecular Dynamics.
  Journal of chemical theory and computation 2006 Lopez CF, Nielsen SO, Srinivas G, Degrado WF, Klein ML
• Characterization of a membrane protein folding motif, the Ser zipper, using designed peptides.
  Journal of molecular biology 2006 North B, Cristian L, Fu Stowell X, Lear JD, Saven JG, Degrado WF
• Activation of individual alphaIIbbeta3 integrin molecules by disruption of transmembrane domain interactions in the absence of clustering.
  Biochemistry 2006 Litvinov RI, Vilaire G, Li W, DeGrado WF, Weisel JW, Bennett JS
• Polar networks control oligomeric assembly in membranes.
  Journal of the American Chemical Society 2006 Tatko CD, Nanda V, Lear JD, Degrado WF
• Controlling the shape and flexibility of arylamides: a combined ab initio, ab initio molecular dynamics, and classical molecular dynamics study.
  The journal of physical chemistry. B 2006 Pophristic V, Vemparala S, Ivanov I, Liu Z, Klein ML, DeGrado WF
• Characterization of nonbiological antimicrobial polymers in aqueous solution and at water-lipid interfaces from all-atom molecular dynamics.
  Journal of the American Chemical Society 2006 Ivanov I, Vemparala S, Pophristic V, Kuroda K, DeGrado WF, McCammon JA, Klein ML
• Computational design of heterochiral peptides against a helical target.
  Journal of the American Chemical Society 2006 Nanda V, DeGrado WF
• Arylamide derivatives as peptidomimetic inhibitors of calmodulin.
  Organic letters 2006 Yin H, Frederick KK, Liu D, Wand AJ, Degrado WF
• Response of a designed metalloprotein to changes in metal ion coordination, exogenous ligands, and active site volume determined by X-ray crystallography.
  Journal of the American Chemical Society 2005 Geremia S, Di Costanzo L, Randaccio L, Engel DE, Lombardi A, Nastri F, DeGrado WF
• Spectroscopic and computational studies of the de novo designed protein DF2t: correlation to the biferrous active site of ribonucleotide reductase and factors that affect O2 reactivity.
  Journal of the American Chemical Society 2005 Wei PP, Skulan AJ, Wade H, DeGrado WF, Solomon EI
• Alpha-alpha linking motifs and interhelical orientations.
  Proteins 2005 Engel DE, DeGrado WF
• The design and evaluation of heparin-binding foldamers.
  Angewandte Chemie (International ed. in English) 2005 Choi S, Clements DJ, Pophristic V, Ivanov I, Vemparala S, Bennett JS, Klein ML, Winkler JD, DeGrado WF
• An atomic environment potential for use in protein structure prediction.
  Journal of molecular biology 2005 Summa CM, Levitt M, Degrado WF
• Artificial di-iron proteins: solution characterization of four helix bundles containing two distinct types of inter-helical loops.
  Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 2005 Maglio O, Nastri F, Calhoun JR, Lahr S, Wade H, Pavone V, DeGrado WF, Lombardi A
• T-jump infrared study of the folding mechanism of coiled-coil GCN4-p1.
  Biophysical journal 2005 Wang T, Lau WL, DeGrado WF, Gai F
• Dynamic heterodimer-functionalized surfaces for endothelial cell adhesion.
  Biomaterials 2005 Willcox PJ, Reinhart-King CA, Lahr SJ, DeGrado WF, Hammer DA
• Structural organization and interactions of transmembrane domains in tetraspanin proteins.
  BMC structural biology 2005 Kovalenko OV, Metcalf DG, DeGrado WF, Hemler ME
• Automated use of mutagenesis data in structure prediction.
  Proteins 2005 Nanda V, DeGrado WF
• Empirical lipid propensities of amino acid residues in multispan alpha helical membrane proteins.
  Proteins 2005 Adamian L, Nanda V, DeGrado WF, Liang J
• X-ray structure of a water-soluble analog of the membrane protein phospholamban: sequence determinants defining the topology of tetrameric and pentameric coiled coils.
  Journal of molecular biology 2005 Slovic AM, Stayrook SE, North B, Degrado WF
• De novo design of a redox-active minimal rubredoxin mimic.
  Journal of the American Chemical Society 2005 Nanda V, Rosenblatt MM, Osyczka A, Kono H, Getahun Z, Dutton PL, Saven JG, Degrado WF
• Synergistic interactions between aqueous and membrane domains of a designed protein determine its fold and stability.
  Journal of molecular biology 2005 Cristian L, Nanda V, Lear JD, DeGrado WF
• Amphiphilic polymethacrylate derivatives as antimicrobial agents.
  Journal of the American Chemical Society 2005 Kuroda K, DeGrado WF
• De novo design of a pentameric coiled-coil: decoding the motif for tetramer versus pentamer formation in water-soluble phospholamban.
  The journal of peptide research : official journal of the American Peptide Society 2005 Slovic AM, Lear JD, DeGrado WF
• Rotational orientation of monomers within a designed homo-oligomer transmembrane helical bundle.
  Protein science : a publication of the Protein Society 2005 Howard KP, Liu W, Crocker E, Nanda V, Lear J, Degrado WF, Smith SO
• The conformation of the pore region of the M2 proton channel depends on lipid bilayer environment.
  Protein science : a publication of the Protein Society 2005 Duong-Ly KC, Nanda V, Degrado WF, Howard KP
• Computational de novo design and characterization of a four-helix bundle protein that selectively binds a nonbiological cofactor.
  Journal of the American Chemical Society 2005 Cochran FV, Wu SP, Wang W, Nanda V, Saven JG, Therien MJ, DeGrado WF
• A push-pull mechanism for regulating integrin function.
  Proceedings of the National Academy of Sciences of the United States of America 2005 Li W, Metcalf DG, Gorelik R, Li R, Mitra N, Nanda V, Law PB, Lear JD, Degrado WF, Bennett JS
• Sequence determinants of a transmembrane proton channel: an inverse relationship between stability and function.
  Journal of molecular biology 2005 Stouffer AL, Nanda V, Lear JD, DeGrado WF
• Analysis and design of turns in alpha-helical hairpins.
  Journal of molecular biology 2005 Lahr SJ, Engel DE, Stayrook SE, Maglio O, North B, Geremia S, Lombardi A, DeGrado WF
• Artificial diiron proteins: from structure to function.
  Biopolymers 2005 Calhoun JR, Nastri F, Maglio O, Pavone V, Lombardi A, DeGrado WF
• Volatile anesthetic modulation of oligomerization equilibria in a hexameric model peptide.
  FEBS letters 2004 Ghirlanda G, Hilcove SA, Pidikiti R, Johansson JS, Lear JD, Degrado WF, Eckenhoff RG
• Simulated evolution of emergent chiral structures in polyalanine.
  Journal of the American Chemical Society 2004 Nanda V, Degrado WF
• Controlling the conformation of arylamides: computational studies of intramolecular hydrogen bonds between amides and ethers or thioethers.
  Chemistry (Weinheim an der Bergstrasse, Germany) 2004 Doerksen RJ, Chen B, Liu D, Tew GN, Degrado WF, Klein ML
• Length Dependent Helix-Coil Transition Kinetics of Nine Alanine-Based Peptides.
  The journal of physical chemistry. B 2004 Wang T, Zhu Y, Getahun Z, Du D, Huang CY, Degrado WF, Gai F
• Association of a model transmembrane peptide containing gly in a heptad sequence motif.
  Biophysical journal 2004 Lear JD, Stouffer AL, Gratkowski H, Nanda V, Degrado WF
• De novo design of catalytic proteins.
  Proceedings of the National Academy of Sciences of the United States of America 2004 Kaplan J, DeGrado WF
• Folding of helical membrane proteins: the role of polar, GxxxG-like and proline motifs.
  Current opinion in structural biology 2004 Senes A, Engel DE, DeGrado WF
• De novo design of a D2-symmetrical protein that reproduces the diheme four-helix bundle in cytochrome bc1.
  Journal of the American Chemical Society 2004 Ghirlanda G, Osyczka A, Liu W, Antolovich M, Smith KM, Dutton PL, Wand AJ, DeGrado WF
• Structural basis for integrin alphaIIbbeta3 clustering.
  Biochemical Society transactions 2004 Li R, Bennett JS, Degrado WF
• A new method for determining the local environment and orientation of individual side chains of membrane-binding peptides.
  Journal of the American Chemical Society 2004 Tucker MJ, Getahun Z, Nanda V, DeGrado WF, Gai F
• Amino acid propensities are position-dependent throughout the length of alpha-helices.
  Journal of molecular biology 2004 Engel DE, DeGrado WF
• Dimerization of the transmembrane domain of Integrin alphaIIb subunit in cell membranes.
  The Journal of biological chemistry 2004 Li R, Gorelik R, Nanda V, Law PB, Lear JD, DeGrado WF, Bennett JS
• Nontoxic membrane-active antimicrobial arylamide oligomers.
  Angewandte Chemie (International ed. in English) 2004 Liu D, Choi S, Chen B, Doerksen RJ, Clements DJ, Winkler JD, Klein ML, DeGrado WF
• Computational design of water-soluble analogues of the potassium channel KcsA.
  Proceedings of the National Academy of Sciences of the United States of America 2004 Slovic AM, Kono H, Lear JD, Saven JG, DeGrado WF
• Oligomerization of fusogenic peptides promotes membrane fusion by enhancing membrane destabilization.
  Biophysical journal 2004 Lau WL, Ege DS, Lear JD, Hammer DA, DeGrado WF
• Computational design and characterization of a monomeric helical dinuclear metalloprotein.
  Journal of molecular biology 2003 Calhoun JR, Kono H, Lahr S, Wang W, DeGrado WF, Saven JG
• Ultrafast folding of alpha3D: a de novo designed three-helix bundle protein.
  Proceedings of the National Academy of Sciences of the United States of America 2003 Zhu Y, Alonso DO, Maki K, Huang CY, Lahr SJ, Daggett V, Roder H, DeGrado WF, Gai F
• Use of thiol-disulfide equilibria to measure the energetics of assembly of transmembrane helices in phospholipid bilayers.
  Proceedings of the National Academy of Sciences of the United States of America 2003 Cristian L, Lear JD, DeGrado WF
• De novo design of a molecular switch: phosphorylation-dependent association of designed peptides.
  Journal of molecular biology 2003 Signarvic RS, DeGrado WF
• Determination of membrane protein stability via thermodynamic coupling of folding to thiol-disulfide interchange.
  Protein science : a publication of the Protein Society 2003 Cristian L, Lear JD, DeGrado WF
• Position-dependence of stabilizing polar interactions of asparagine in transmembrane helical bundles.
  Biochemistry 2003 Lear JD, Gratkowski H, Adamian L, Liang J, DeGrado WF
• Computational biology: Biosensor design.
  Nature 2003 DeGrado WF
• Activation of integrin alphaIIbbeta3 by modulation of transmembrane helix associations.
  Science (New York, N.Y.) 2003 Li R, Mitra N, Gratkowski H, Vilaire G, Litvinov R, Nagasami C, Weisel JW, Lear JD, DeGrado WF, Bennett JS
• How do helix-helix interactions help determine the folds of membrane proteins? Perspectives from the study of homo-oligomeric helical bundles.
  Protein science : a publication of the Protein Society 2003 DeGrado WF, Gratkowski H, Lear JD
• Preorganization of molecular binding sites in designed diiron proteins.
  Proceedings of the National Academy of Sciences of the United States of America 2003 Maglio O, Nastri F, Pavone V, Lombardi A, DeGrado WF
• The hydration of amides in helices; a comprehensive picture from molecular dynamics, IR, and NMR.
  Protein science : a publication of the Protein Society 2003 Walsh ST, Cheng RP, Wright WW, Alonso DO, Daggett V, Vanderkooi JM, DeGrado WF
• Computational design of a water-soluble analog of phospholamban.
  Protein science : a publication of the Protein Society 2003 Slovic AM, Summa CM, Lear JD, DeGrado WF
• Sliding helix and change of coordination geometry in a model di-MnII protein.
  Angewandte Chemie (International ed. in English) 2003 DeGrado WF, Di Costanzo L, Geremia S, Lombardi A, Pavone V, Randaccio L
• Probing the configurational space of a metalloprotein core: an ab initio molecular dynamics study of Duo Ferro 1 binuclear Zn cofactor.
  Journal of the American Chemical Society 2003 Papoian GA, DeGrado WF, Klein ML
• Using nitrile-derivatized amino acids as infrared probes of local environment.
  Journal of the American Chemical Society 2003 Getahun Z, Huang CY, Wang T, De León B, DeGrado WF, Gai F
• Use of phage display to probe the evolution of binding specificity and affinity in integrins.
  Protein engineering 2003 Li R, Hoess RH, Bennett JS, DeGrado WF
• Characterization of the monomeric form of the transmembrane and cytoplasmic domains of the integrin beta 3 subunit by NMR spectroscopy.
  Biochemistry 2002 Li R, Babu CR, Valentine K, Lear JD, Wand AJ, Bennett JS, DeGrado WF
• Light-induced helix formation.
  Journal of the American Chemical Society 2002 Huang CY, He S, DeGrado WF, McCafferty DG, Gai F
• Long-range interactions stabilize the fold of a non-natural oligomer.
  Journal of the American Chemical Society 2002 Cheng RP, DeGrado WF
• Cooperativity and specificity of association of a designed transmembrane peptide.
  Biophysical journal 2002 Gratkowski H, Dai QH, Wand AJ, DeGrado WF, Lear JD
• Computational de novo design, and characterization of an A(2)B(2) diiron protein.
  Journal of molecular biology 2002 Summa CM, Rosenblatt MM, Hong JK, Lear JD, DeGrado WF
• Sequence determinants of the energetics of folding of a transmembrane four-helix-bundle protein.
  Proceedings of the National Academy of Sciences of the United States of America 2002 Howard KP, Lear JD, DeGrado WF
• A hierarchic approach to the design of hexameric helical barrels.
  Journal of molecular biology 2002 Ghirlanda G, Lear JD, Ogihara NL, Eisenberg D, DeGrado WF
• De novo design of biomimetic antimicrobial polymers.
  Proceedings of the National Academy of Sciences of the United States of America 2002 Tew GN, Liu D, Chen B, Doerksen RJ, Kaplan J, Carroll PJ, Klein ML, DeGrado WF
• Noncovalent self-assembly of a heterotetrameric diiron protein.
  Proceedings of the National Academy of Sciences of the United States of America 2002 Marsh EN, DeGrado WF
• Helix formation via conformation diffusion search.
  Proceedings of the National Academy of Sciences of the United States of America 2002 Huang CY, Getahun Z, Zhu Y, Klemke JW, DeGrado WF, Gai F
• Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center.
  Journal of the American Chemical Society 2001 Di Costanzo L, Wade H, Geremia S, Randaccio L, Pavone V, DeGrado WF, Lombardi A
• Template-constrained somatostatin analogues: a biphenyl linker induces a type-V' turn.
  Journal of the American Chemical Society 2001 Cheng RP, Suich DJ, Cheng H, Roder H, DeGrado WF
• Time-resolved infrared study of the helix-coil transition using (13)C-labeled helical peptides.
  Journal of the American Chemical Society 2001 Huang CY, Getahun Z, Wang T, DeGrado WF, Gai F
• Oligomerization of the integrin alphaIIbbeta3: roles of the transmembrane and cytoplasmic domains.
  Proceedings of the National Academy of Sciences of the United States of America 2001 Li R, Babu CR, Lear JD, Wand AJ, Bennett JS, DeGrado WF
• Introduction: protein design.
  Chemical reviews 2001 DeGrado WF
• beta-Peptides: from structure to function.
  Chemical reviews 2001 Cheng RP, Gellman SH, DeGrado WF
• Temperature-dependent helix-coil transition of an alanine based peptide.
  Journal of the American Chemical Society 2001 Huang CY, Klemke JW, Getahun Z, DeGrado WF, Gai F
• D(n)-symmetrical tertiary templates for the design of tubular proteins.
  Journal of molecular biology 2001 North B, Summa CM, Ghirlanda G, DeGrado WF
• Dynamics of a de novo designed three-helix bundle protein studied by 15N, 13C, and 2H NMR relaxation methods.
  Biochemistry 2001 Walsh ST, Lee AL, DeGrado WF, Wand AJ
• De novo design, synthesis, and characterization of antimicrobial beta-peptides.
  Journal of the American Chemical Society 2001 Liu D, DeGrado WF
• De novo design, synthesis and characterization of membrane-active peptides.
  Biochemical Society transactions 2001 Lear JD, Gratkowski H, DeGrado WF
• De novo design of a monomeric helical beta-peptide stabilized by electrostatic interactions.
  Journal of the American Chemical Society 2001 Cheng RP, DeGrado WF
• Proton and metal ion-dependent assembly of a model diiron protein.
  Protein science : a publication of the Protein Society 2001 Pasternak A, Kaplan J, Lear JD, Degrado WF
• Fluorinated Coiled-Coil Proteins Prepared In Vivo Display Enhanced Thermal and Chemical Stability This work was supported by a grant from the U.S. Army Research Office. Y. Tang is supported by a Whitaker Graduate Research Fellowship. We thank Dr. Gary Hathaway for performing matrix-assisted laser desorption/ionization analyses.
  Angewandte Chemie (International ed. in English) 2001 Tang Y, Ghirlanda G, Petka WA, Nakajima T, DeGrado WF, Tirrell DA
• Fluorinated Coiled-Coil Proteins Prepared In Vivo Display Enhanced Thermal and Chemical Stability.
  Angewandte Chemie (International ed. in English) 2001 Tang Y, Ghirlanda G, Petka WA, Nakajima T, DeGrado WF, Tirrell DA
• Stabilization of coiled-coil peptide domains by introduction of trifluoroleucine.
  Biochemistry 2001 Tang Y, Ghirlanda G, Vaidehi N, Kua J, Mainz DT, Goddard III WA, DeGrado WF, Tirrell DA
• Design of three-dimensional domain-swapped dimers and fibrous oligomers.
  Proceedings of the National Academy of Sciences of the United States of America 2001 Ogihara NL, Ghirlanda G, Bryson JW, Gingery M, DeGrado WF, Eisenberg D
• Polar side chains drive the association of model transmembrane peptides.
  Proceedings of the National Academy of Sciences of the United States of America 2001 Gratkowski H, Lear JD, DeGrado WF
• Hydrophobic core malleability of a de novo designed three-helix bundle protein.
  Journal of molecular biology 2001 Walsh ST, Sukharev VI, Betz SF, Vekshin NL, DeGrado WF
• Evolution of binding affinity in a WW domain probed by phage display.
  Protein science : a publication of the Protein Society 2000 Dalby PA, Hoess RH, DeGrado WF
• Dynamics and folding of single two-stranded coiled-coil peptides studied by fluorescent energy transfer confocal microscopy.
  Proceedings of the National Academy of Sciences of the United States of America 2000 Talaga DS, Lau WL, Roder H, Tang J, Jia Y, DeGrado WF, Hochstrasser RM
• pH-dependent tetramerization and amantadine binding of the transmembrane helix of M2 from the influenza A virus.
  Biochemistry 2000 Salom D, Hill BR, Lear JD, DeGrado WF
• Structural consequences of an amino acid deletion in the B1 domain of protein G.
  Proteins 2000 O'Neil KT, Bach AC, DeGrado WF
• De novo design of helical bundles as models for understanding protein folding and function.
  Accounts of chemical research 2000 Hill RB, Raleigh DP, Lombardi A, DeGrado WF
• Template-constrained cyclic peptide analogues of somatostatin: subtype-selective binding to somatostatin receptors and antiangiogenic activity.
  Bioorganic & medicinal chemistry 2000 Suich DJ, Mousa SA, Singh G, Liapakis G, Reisine T, DeGrado WF
• The activation state of alphavbeta 3 regulates platelet and lymphocyte adhesion to intact and thrombin-cleaved osteopontin.
  The Journal of biological chemistry 2000 Helluin O, Chan C, Vilaire G, Mousa S, DeGrado WF, Bennett JS
• Retrostructural analysis of metalloproteins: application to the design of a minimal model for diiron proteins.
  Proceedings of the National Academy of Sciences of the United States of America 2000 Lombardi A, Summa CM, Geremia S, Randaccio L, Pavone V, DeGrado WF
• A polar, solvent-exposed residue can be essential for native protein structure.
  Structure (London, England : 1993) 2000 Hill RB, DeGrado WF
• Asparagine-mediated self-association of a model transmembrane helix.
  Nature structural biology 2000 Choma C, Gratkowski H, Lear JD, DeGrado WF
• Total chemical synthesis of the integral membrane protein influenza A virus M2: role of its C-terminal domain in tetramer assembly.
  Biochemistry 1999 Kochendoerfer GG, Salom D, Lear JD, Wilk-Orescan R, Kent SB, DeGrado WF
• The twists and turns of beta-peptides.
  The journal of peptide research : official journal of the American Peptide Society 1999 DeGrado WF, Schneider JP, Hamuro Y
• Tertiary templates for the design of diiron proteins.
  Current opinion in structural biology 1999 Summa CM, Lombardi A, Lewis M, DeGrado WF
• Centrosymmetric bilayers in the 0.75 A resolution structure of a designed alpha-helical peptide, D,L-Alpha-1.
  Protein science : a publication of the Protein Society 1999 Patterson WR, Anderson DH, DeGrado WF, Cascio D, Eisenberg D
• Solution structure and dynamics of a de novo designed three-helix bundle protein.
  Proceedings of the National Academy of Sciences of the United States of America 1999 Walsh ST, Cheng H, Bryson JW, Roder H, DeGrado WF
• Rapid synthesis of RGD mimetics with isoxazoline scaffolds on solid phase: identification of alphavbeta3 antagonists lead compounds.
  Bioorganic & medicinal chemistry letters 1999 Rockwell AL, Rafalski M, Pitts WJ, Batt DG, Petraitis JJ, DeGrado WF, Mousa S, Jadhav PK
• The two-dimensional IR nonlinear spectroscopy of a cyclic penta-peptide in relation to its three-dimensional structure.
  Proceedings of the National Academy of Sciences of the United States of America 1999 Hamm P, Lim M, DeGrado WF, Hochstrasser RM
• Cu(II) inhibition of the proton translocation machinery of the influenza A virus M2 protein.
  The Journal of biological chemistry 1999 Gandhi CS, Shuck K, Lear JD, Dieckmann GR, DeGrado WF, Lamb RA, Pinto LH
• Exploration of the structural features defining the conduction properties of a synthetic ion channel.
  Biophysical journal 1999 Dieckmann GR, Lear JD, Zhong Q, Klein ML, DeGrado WF, Sharp KA
• De novo design and structural characterization of proteins and metalloproteins.
  Annual review of biochemistry 1999 DeGrado WF, Summa CM, Pavone V, Nastri F, Lombardi A
• Synthesis and antiplatelet effects of an isoxazole series of glycoprotein IIb/IIIa antagonists.
  Bioorganic & medicinal chemistry letters 1998 Xue CB, Roderick J, Mousa S, Olson RE, DeGrado WF
• From synthetic coiled coils to functional proteins: automated design of a receptor for the calmodulin-binding domain of calcineurin.
  Journal of molecular biology 1998 Ghirlanda G, Lear JD, Lombardi A, DeGrado WF
• The role of protonation and metal chelation preferences in defining the properties of mercury-binding coiled coils.
  Journal of molecular biology 1998 Dieckmann GR, McRorie DK, Lear JD, Sharp KA, DeGrado WF, Pecoraro VL
• From coiled coils to small globular proteins: design of a native-like three-helix bundle.
  Protein science : a publication of the Protein Society 1998 Bryson JW, Desjarlais JR, Handel TM, DeGrado WF
• Design and synthesis of cyclic inhibitors of matrix metalloproteinases and TNF-alpha production.
  Journal of medicinal chemistry 1998 Xue CB, He X, Roderick J, DeGrado WF, Cherney RJ, Hardman KD, Nelson DJ, Copeland RA, Jaffee BD, Decicco CP
• Macrocyclic amino carboxylates as selective MMP-8 inhibitors.
  Journal of medicinal chemistry 1998 Cherney RJ, Wang L, Meyer DT, Xue CB, Wasserman ZR, Hardman KD, Welch PK, Covington MB, Copeland RA, Arner EC, DeGrado WF, Decicco CP
• Analysis and design of three-stranded coiled coils and three-helix bundles.
  Folding & design 1998 Schneider JP, Lombardi A, DeGrado WF
• Two models of the influenza A M2 channel domain: verification by comparison.
  Folding & design 1998 Forrest LR, DeGrado WF, Dieckmann GR, Sansom MS
• A functionally defined model for the M2 proton channel of influenza A virus suggests a mechanism for its ion selectivity.
  Proceedings of the National Academy of Sciences of the United States of America 1997 Pinto LH, Dieckmann GR, Gandhi CS, Papworth CG, Braman J, Shaughnessy MA, Lear JD, Lamb RA, DeGrado WF
• Proteins from scratch.
  Science (New York, N.Y.) 1997 DeGrado WF
• Modeling transmembrane helical oligomers.
  Current opinion in structural biology 1997 Dieckmann GR, DeGrado WF
• Design, synthesis, and in vitro activities of benzamide-core glycoprotein IIb/IIIa antagonists: 2,3-diaminopropionic acid derivatives as surrogates of aspartic acid.
  Bioorganic & medicinal chemistry 1997 Xue CB, Roderick J, Jackson S, Rafalski M, Rockwell A, Mousa S, Olson RE, DeGrado WF
• Agonist-activated alphavbeta3 on platelets and lymphocytes binds to the matrix protein osteopontin.
  The Journal of biological chemistry 1997 Bennett JS, Chan C, Vilaire G, Mousa SA, DeGrado WF
• De novo design of native proteins: characterization of proteins intended to fold into antiparallel, rop-like, four-helix bundles.
  Biochemistry 1997 Betz SF, Liebman PA, DeGrado WF
• The crystal structure of the designed trimeric coiled coil coil-VaLd: implications for engineering crystals and supramolecular assemblies.
  Protein science : a publication of the Protein Society 1997 Ogihara NL, Weiss MS, Degrado WF, Eisenberg D
• Thermodynamic analysis of a designed three-stranded coiled coil.
  Biochemistry 1996 Boice JA, Dieckmann GR, DeGrado WF, Fairman R
• Novel nonpeptide antiplatelet glycoprotein IIb/IIIa receptor antagonist, DMP754: receptor binding affinity and specificity.
  Coronary artery disease 1996 Mousa SA, Forsythe M, Lorelli W, Bozarth J, Xue CB, Wityak J, Sielecki TM, Olson RE, DeGrado W, Kapil R, Hussain M, Wexler R, Thoolen MJ, Reilly TM
• Expression of de novo designed alpha-helical bundles.
  Acta chemica Scandinavica (Copenhagen, Denmark : 1989) 1996 Betz SF, Bryson JW, Passador MC, Brown RJ, O'Neil KT, DeGrado WF
• Protein minimization: downsizing through mutation.
  Proceedings of the National Academy of Sciences of the United States of America 1996 DeGrado WF, Sosnick TR
• Controlling topology and native-like behavior of de novo-designed peptides: design and characterization of antiparallel four-stranded coiled coils.
  Biochemistry 1996 Betz SF, DeGrado WF
• In vitro evolution of thermodynamically stable turns.
  Nature structural biology 1996 Zhou HX, Hoess RH, DeGrado WF
• The role of helix formation in the folding of a fully alpha-helical coiled coil.
  Proteins 1996 Sosnick TR, Jackson S, Wilk RR, Englander SW, DeGrado WF
• Oral antiplatelet, antithrombotic efficacy of DMP 728, a novel platelet GPIIb/IIIa antagonist.
  Circulation 1996 Mousa SA, DeGrado WF, Mu DX, Kapil RP, Lucchesi BR, Reilly TM
• Crystallization of a designed peptide from a molten globule ensemble.
  Folding & design 1996 Betz SF, Raleigh DP, DeGrado WF, Lovejoy B, Anderson D, Ogihara N, Eisenberg D
• De novo design of heterotrimeric coiled coils.
  Biopolymers 1996 Lombardi A, Bryson JW, DeGrado WF
• Protein design: a hierarchic approach.
  Science (New York, N.Y.) 1995 Bryson JW, Betz SF, Lu HS, Suich DJ, Zhou HX, O'Neil KT, DeGrado WF
• Native-like and structurally characterized designed alpha-helical bundles.
  Current opinion in structural biology 1995 Betz SF, Bryson JW, DeGrado WF
• Design of two-stranded and three-stranded coiled-coil peptides.
  Philosophical transactions of the Royal Society of London. Series B, Biological sciences 1995 Betz S, Fairman R, O'Neil K, Lear J, Degrado W
• Thermodynamic genetics of the folding of the B1 immunoglobulin-binding domain from streptococcal protein G.
  Proteins 1995 O'Neil KT, Hoess RH, Raleigh DP, DeGrado WF
• Disulfide crosslinks to probe the structure and flexibility of a designed four-helix bundle protein.
  Protein science : a publication of the Protein Society 1994 Regan L, Rockwell A, Wasserman Z, DeGrado W
• Design and synthesis of simplified energy-converting proteins.
  Biochemical Society transactions 1994 Farid RS, Robertson DE, Moser CC, Pilloud D, DeGrado WF, Dutton PL
• A helical-dipole model describes the single-channel current rectification of an uncharged peptide ion channel.
  Proceedings of the National Academy of Sciences of the United States of America 1994 Kienker PK, DeGrado WF, Lear JD
• Design and synthesis of multi-haem proteins.
  Nature 1994 Robertson DE, Farid RS, Moser CC, Urbauer JL, Mulholland SE, Pidikiti R, Lear JD, Wand AJ, DeGrado WF, Dutton PL
• Identification of recognition sequences of adhesion molecules using phage display technology.
  Methods in enzymology 1994 O'Neil KT, DeGrado WF, Mousa SA, Ramachandran N, Hoess RH
• Multiple oligomeric states regulate the DNA binding of helix-loop-helix peptides.
  Proceedings of the National Academy of Sciences of the United States of America 1993 Fairman R, Beran-Steed RK, Anthony-Cahill SJ, Lear JD, Stafford WF, DeGrado WF, Benfield PA, Brenner SL
• Peptide engineering. Catalytic molten globules.
  Nature 1993 DeGrado WF
• Metal ion-dependent modulation of the dynamics of a designed protein.
  Science (New York, N.Y.) 1993 Handel TM, Williams SA, DeGrado WF
• Crystal structure of a synthetic triple-stranded alpha-helical bundle.
  Science (New York, N.Y.) 1993 Lovejoy B, Choe S, Cascio D, McRorie DK, DeGrado WF, Eisenberg D
• Identification of novel peptide antagonists for GPIIb/IIIa from a conformationally constrained phage peptide library.
  Proteins 1992 O'Neil KT, Hoess RH, Jackson SA, Ramachandran NS, Mousa SA, DeGrado WF
• Calmodulin binding to alpha 1-purothionin: solution binding and modeling of the complex.
  Proteins 1992 Rao U, Teeter MM, Erickson-Viitanen S, DeGrado WF
• Crystallization of proton channel peptides.
  Protein science : a publication of the Protein Society 1992 Lovejoy B, Akerfeldt KS, DeGrado WF, Eisenberg D
• Fluorescence studies of the secondary structure and orientation of a model ion channel peptide in phospholipid vesicles.
  Biochemistry 1992 Chung LA, Lear JD, DeGrado WF
• X-ray grade crystals of a designed alpha-helical coiled coil.
  Protein science : a publication of the Protein Society 1992 Lovejoy B, Le TC, Lüthy R, Cascio D, O'Neil KT, DeGrado WF, Eisenberg D
• Peptide models for the membrane destabilizing actions of viral fusion proteins.
  Biopolymers 1992 Epand RM, Cheetham JJ, Epand RF, Yeagle PL, Richardson CD, Rockwell A, Degrado WF
• Molecular characterization of helix-loop-helix peptides.
  Science (New York, N.Y.) 1992 Anthony-Cahill SJ, Benfield PA, Fairman R, Wasserman ZR, Brenner SL, Stafford WF, Altenbach C, Hubbell WL, DeGrado WF
• Membrane fusion activity of the influenza virus hemagglutinin: interaction of HA2 N-terminal peptides with phospholipid vesicles.
  Biochemistry 1991 Rafalski M, Ortiz A, Rockwell A, van Ginkel LC, Lear JD, DeGrado WF, Wilschut J
• DNA-induced increase in the alpha-helical content of C/EBP and GCN4.
  Biochemistry 1991 O'Neil KT, Shuman JD, Ampe C, DeGrado WF
• A thermodynamic scale for the helix-forming tendencies of the commonly occurring amino acids.
  Science (New York, N.Y.) 1990 O'Neil KT, DeGrado WF
• Phospholipid interactions of synthetic peptides representing the N-terminus of HIV gp41.
  Biochemistry 1990 Rafalski M, Lear JD, DeGrado WF
• Design of DNA-binding peptides based on the leucine zipper motif.
  Science (New York, N.Y.) 1990 O'Neil KT, Hoess RH, DeGrado WF
• Crystal structure of alpha 1: implications for protein design.
  Science (New York, N.Y.) 1990 Hill CP, Anderson DH, Wesson L, DeGrado WF, Eisenberg D
• How calmodulin binds its targets: sequence independent recognition of amphiphilic alpha-helices.
  Trends in biochemical sciences 1990 O'Neil KT, DeGrado WF
• Conformationally constrained alpha-helical peptide models for protein ion channels.
  Biopolymers 1990 DeGrado WF, Lear JD
• Photolabeling of calmodulin with basic, amphiphilic alpha-helical peptides containing p-benzoylphenylalanine.
  The Journal of biological chemistry 1989 O'Neil KT, Erickson-Viitanen S, DeGrado WF
• Emil Thomas Kaiser 1938-1988.
  Journal of molecular recognition : JMR 1989 Degrado WF, May SW
• Protein design, a minimalist approach.
  Science (New York, N.Y.) 1989 DeGrado WF, Wasserman ZR, Lear JD
• Contributions of chemistry: biotechnology and materials science.
  Science (New York, N.Y.) 1989 Degrado WF
• The interaction of calmodulin with fluorescent and photoreactive model peptides: evidence for a short interdomain separation.
  Proteins 1989 O'Neil KT, DeGrado WF
• Characterization of a helical protein designed from first principles.
  Science (New York, N.Y.) 1988 Regan L, DeGrado WF
• Synthetic amphiphilic peptide models for protein ion channels.
  Science (New York, N.Y.) 1988 Lear JD, Wasserman ZR, DeGrado WF
• Design of peptides and proteins.
  Advances in protein chemistry 1988 Degrado WF
• Fluorescence properties of calmodulin-binding peptides reflect alpha-helical periodicity.
  Science (New York, N.Y.) 1987 O'Neil KT, Wolfe HR, Erickson-Viitanen S, DeGrado WF
• Membrane binding and conformational properties of peptides representing the NH2 terminus of influenza HA-2.
  The Journal of biological chemistry 1987 Lear JD, DeGrado WF
• Predicted calmodulin-binding sequence in the gamma subunit of phosphorylase b kinase.
  Proteins 1987 DeGrado WF, Erickson-Viitanen S, Wolfe HR, O'Neil KT
• Recognition and characterization of calmodulin-binding sequences in peptides and proteins.
  Methods in enzymology 1987 Erickson-Viitanen S, DeGrado WF
• The design of a four-helix bundle protein.
  Cold Spring Harbor symposia on quantitative biology 1987 DeGrado WF, Regan L, Ho SP
• The design, synthesis, and crystallization of an alpha-helical peptide.
  Proteins 1986 Eisenberg D, Wilcox W, Eshita SM, Pryciak PM, Ho SP, DeGrado WF
• p-Benzoyl-L-phenylalanine, a new photoreactive amino acid. Photolabeling of calmodulin with a synthetic calmodulin-binding peptide.
  The Journal of biological chemistry 1986 Kauer JC, Erickson-Viitanen S, Wolfe HR, DeGrado WF
• Nonidentical induction of the guanylate binding protein and the 56K protein by type I and type II interferons.
  Journal of interferon research 1986 Cheng YS, Becker-Manley MF, Nguyen TD, DeGrado WF, Jonak GJ
• A predicted structure of calmodulin suggests an electrostatic basis for its function.
  Proceedings of the National Academy of Sciences of the United States of America 1985 O'Neil KT, DeGrado WF
• In vivo function and membrane binding properties are correlated for Escherichia coli lamB signal peptides.
  Science (New York, N.Y.) 1985 Briggs MS, Gierasch LM, Zlotnick A, Lear JD, DeGrado WF
• The interaction of calmodulin with amphiphilic peptides.
  The Journal of biological chemistry 1985 Cox JA, Comte M, Fitton JE, DeGrado WF
• The design, synthesis, and characterization of tight-binding inhibitors of calmodulin.
  Journal of cellular biochemistry 1985 DeGrado WF, Prendergast FG, Wolfe HR, Cox JA
• Antibodies to synthetic peptides of human interferon-beta. Use in biosynthetic studies.
  The Journal of biological chemistry 1984 Chow TP, DeGrado WF, Knight E
• Antibodies to human c-myc oncogene product: evidence of an evolutionarily conserved protein induced during cell proliferation.
  Science (New York, N.Y.) 1984 Persson H, Hennighausen L, Taub R, DeGrado W, Leder P
• Purification and properties of thiol beta-lactamase. A mutant of pBR322 beta-lactamase in which the active site serine has been replaced with cysteine.
  The Journal of biological chemistry 1984 Sigal IS, DeGrado WF, Thomas BJ, Petteway SR
• Posttranslational modification of human T-cell growth factor.
  Biochemical and biophysical research communications 1983 Robb RJ, Kutny RM, Panico M, Morris H, DeGrado WF, Chowdhry V
• Sequence and structural homologies among type I and type II interferons.
  Nature 1982 DeGrado WF, Wasserman ZR, Chowdhry V
• Kinetics and mechanism of hemolysis induced by melittin and by a synthetic melittin analogue.
  Biophysical journal 1982 DeGrado WF, Musso GF, Lieber M, Kaiser ET, Kézdy FJ