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William DeGrado

This is a preview profile on BiomedExperts - the first literature-based scientific social network. It brings the right researchers together and allows them to collaborate online. Collexis and Dell provide the BiomedExperts network of +1.5 Million pre-calculated profiles free of charge to researchers worldwide.

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Genes & Molecular Sequences

Amino Acid Sequence

Chemicals & Drugs

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Protein Folding

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TOP 3
Faiella Marina; Andreozzi Concetta; de Rosales Rafael Torres Martin; Pavone Vincenzo; Maglio Ornella; Nastri Flavia; DeGrado William F; Lombardi Angela
An artificial di-iron oxo-protein with phenol oxidase activity.
Metcalf Douglas G; Kulp Dan W; Bennett Joel S; DeGrado William F
Multiple approaches converge on the structure of the integrin alphaIIb/beta3 transmembrane heterodimer.
He Fanglian; Nair Gauri R; Soto Cinque S; Chang Yehchung; Hsu Lillian; Ronzone Erik; DeGrado William F; Binns Andrew N
Molecular basis of ChvE function in sugar binding, sugar utilization, and virulence in Agrobacterium tumefaciens.

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All Publications

2009: Faiella Marina; Andreozzi Concetta; de Rosales Rafael Torres Martin; Pavone Vincenzo; Maglio Ornella; Nastri Flavia; DeGrado William F; Lombardi Angela
An artificial di-iron oxo-protein with phenol oxidase activity.
Nature chemical biology 2009;5(12):882-4.
2009: Metcalf Douglas G; Kulp Dan W; Bennett Joel S; DeGrado William F
Multiple approaches converge on the structure of the integrin alphaIIb/beta3 transmembrane heterodimer.
Journal of molecular biology 2009;392(4):1087-101.
2009: He Fanglian; Nair Gauri R; Soto Cinque S; Chang Yehchung; Hsu Lillian; Ronzone Erik; DeGrado William F; Binns Andrew N
Molecular basis of ChvE function in sugar binding, sugar utilization, and virulence in Agrobacterium tumefaciens.
Journal of bacteriology 2009;191(18):5802-13.
2009: Zhang Yao; Kulp Daniel W; Lear James D; DeGrado William F
Experimental and computational evaluation of forces directing the association of transmembrane helices.
Journal of the American Chemical Society 2009;131(32):11341-3.
2009: Ma Chunlong; Polishchuk Alexei L; Ohigashi Yuki; Stouffer Amanda L; Schön Arne; Magavern Emma; Jing Xianghong; Lear James D; Freire Ernesto; Lamb Robert A; DeGrado William F; Pinto Lawrence H
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;106(30):12283-8.
2009: Wang Jun; Cady Sarah D; Balannik Victoria; Pinto Lawrence H; DeGrado William F; Hong Mei
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;131(23):8066-76.
2009: Choi Sungwook; Isaacs Andre; Clements Dylan; Liu Dahui; Kim Hyemin; Scott Richard W; Winkler Jeffrey D; DeGrado William F
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;106(17):6968-73.
2009: Tang Jia; Yin Hang; Qiu Jade; Tucker Matthew J; DeGrado William F; Gai Feng
Using two fluorescent probes to dissect the binding, insertion, and dimerization kinetics of a model membrane peptide.
Journal of the American Chemical Society 2009;131(11):3816-7.
2009: Bissonnette Mei Lin Z; Donald Jason E; DeGrado William F; Jardetzky Theodore S; Lamb Robert A
Functional analysis of the transmembrane domain in paramyxovirus F protein-mediated membrane fusion.
Journal of molecular biology 2009;386(1):14-36.
2009: Khurana Ekta; Dal Peraro Matteo; DeVane Russell; Vemparala Satyavani; DeGrado William F; Klein Michael L
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;106(4):1069-74.
2009: Miller Meredith W; Basra Sandeep; Kulp Daniel W; Billings Paul C; Choi Sungwook; Beavers Mary Pat; McCarty Owen J T; Zou Zhiying; Kahn Mark L; Bennett Joel S; DeGrado William F
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;106(3):719-24.
2009: Goldberg Shalom D; Derr Paige; DeGrado William F; Goulian Mark
Engineered single- and multi-cell chemotaxis pathways in E. coli.
Molecular systems biology 2009;5():283.
2009: Kuroda Kenichi; Caputo Gregory A; DeGrado William F
The role of hydrophobicity in the antimicrobial and hemolytic activities of polymethacrylate derivatives.
Chemistry (Weinheim an der Bergstrasse, Germany) 2009;15(5):1123-33.
2008: Scott Richard W; DeGrado William F; Tew Gregory N
De novo designed synthetic mimics of antimicrobial peptides.
Current opinion in biotechnology 2008;19(6):620-7.
2008: Nguyen Phuong A; Soto Cinque S; Polishchuk Alexei; Caputo Gregory A; Tatko Chad D; Ma Chunlong; Ohigashi Yuki; Pinto Lawrence H; DeGrado William F; Howard Kathleen P
pH-induced conformational change of the influenza M2 protein C-terminal domain.
Biochemistry 2008;47(38):9934-6.
2008: McAllister Karen A; Zou Hongling; Cochran Frank V; Bender Gretchen M; Senes Alessandro; Fry H Christopher; Nanda Vikas; Keenan Patricia A; Lear James D; Saven Jeffery G; Therien Michael J; Blasie J Kent; DeGrado William F
Using alpha-helical coiled-coils to design nanostructured metalloporphyrin arrays.
Journal of the American Chemical Society 2008;130(36):11921-7.
2008: Caputo Gregory A; Litvinov Rustem I; Li Wei; Bennett Joel S; Degrado William F; Yin Hang
Computationally designed peptide inhibitors of protein-protein interactions in membranes.
Biochemistry 2008;47(33):8600-6.
2008: Stouffer Amanda L; Ma Chunlong; Cristian Lidia; Ohigashi Yuki; Lamb Robert A; Lear James D; Pinto Lawrence H; DeGrado William F
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;16(7):1067-76.
2008: Moore David T; Berger Bryan W; DeGrado William F
Protein-protein interactions in the membrane: sequence, structural, and biological motifs.
Structure (London, England : 1993) 2008;16(7):991-1001.
2008: Calhoun Jennifer R; Bell Caleb B; Smith Thomas J; Thamann Thomas J; DeGrado William F; Solomon Edward I
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;130(29):9188-9.
2008: Goldberg Shalom D; Soto Cinque S; Waldburger Carey D; Degrado William F
Determination of the physiological dimer interface of the PhoQ sensor domain.
Journal of molecular biology 2008;379(4):656-65.
2008: Ma Chunlong; Soto Cinque S; Ohigashi Yuki; Taylor Albert; Bournas Vasilios; Glawe Brett; Udo Maria K; Degrado William F; Lamb Robert A; Pinto Lawrence H
Identification of the pore-lining residues of the BM2 ion channel protein of influenza B virus.
The Journal of biological chemistry 2008;283(23):15921-31.
2008: Calhoun Jennifer R; Liu Weixia; Spiegel Katrin; Dal Peraro Matteo; Klein Michael L; Valentine Kathleen G; Wand A Joshua; DeGrado William F
Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.
Structure (London, England : 1993) 2008;16(2):210-5.
2008: Stouffer Amanda L; Acharya Rudresh; Salom David; Levine Anna S; Di Costanzo Luigi; Soto Cinque S; Tereshko Valentina; Nanda Vikas; Stayrook Steven; DeGrado William F
Structural basis for the function and inhibition of an influenza virus proton channel.
Nature 2008;451(7178):596-9.
2007: Tang Jia; Signarvic Rachel S; DeGrado William F; Gai Feng
Role of helix nucleation in the kinetics of binding of mastoparan X to phospholipid bilayers.
Biochemistry 2007;46(48):13856-63.
2007: Choi Sungwook; Vilaire Gaston; Marcinkiewicz Cezary; Winkler Jeffrey D; Bennett Joel S; DeGrado William F
Small molecule inhibitors of integrin alpha2beta1.
Journal of medicinal chemistry 2007;50(22):5457-62.
2007: Mukherjee Smita; Chowdhury Pramit; DeGrado William F; Gai Feng
Site-specific hydration status of an amphipathic peptide in AOT reverse micelles.
Langmuir : the ACS journal of surfaces and colloids 2007;23(22):11174-9.
2007: Balakrishnan Gurusamy; Hu Ying; Bender Gretchen M; Getahun Zelleka; DeGrado William F; Spiro Thomas G
Enthalpic and entropic stages in alpha-helical peptide unfolding, from laser T-jump/UV Raman spectroscopy.
Journal of the American Chemical Society 2007;129(42):12801-8.
2007: Bender Gretchen M; Lehmann Andreas; Zou Hongling; Cheng Hong; Fry H Christopher; Engel Don; Therien Michael J; Blasie J Kent; Roder Heinrich; Saven Jeffrey G; DeGrado William F
De novo design of a single-chain diphenylporphyrin metalloprotein.
Journal of the American Chemical Society 2007;129(35):10732-40.
2007: Finikova Olga S; Troxler Thomas; Senes Alessandro; DeGrado William F; Hochstrasser Robin M; Vinogradov Sergei A
Energy and electron transfer in enhanced two-photon-absorbing systems with triplet cores.
The journal of physical chemistry. A 2007;111(30):6977-90.
2007: Wang Pen-Cheng; Vilaire Gaston; DeGrado William F; Bennett Joel S
Interactions of ADP-stimulated human platelets with PEGylated polystyrene substrates prepared by surface amidation.
Colloids and surfaces. B, Biointerfaces 2007;58(2):225-30.
2007: Goodman Catherine M; Choi Sungwook; Shandler Scott; DeGrado William F
Foldamers as versatile frameworks for the design and evolution of function.
Nature chemical biology 2007;3(5):252-62.
2007: Cady Sarah D; Goodman Catherine; Tatko Chad D; DeGrado William F; Hong Mei
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;129(17):5719-29.
2007: Metcalf Douglas G; Law Peter B; DeGrado William F
Mutagenesis data in the automated prediction of transmembrane helix dimers.
Proteins 2007;67(2):375-84.
2007: Lee Mark H; Adams Christopher S; Boettiger David; Degrado William F; Shapiro Irving M; Composto Russell J; Ducheyne Paul
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;81(1):150-60.
2007: Yin Hang; Slusky Joanna S; Berger Bryan W; Walters Robin S; Vilaire Gaston; Litvinov Rustem I; Lear James D; Caputo Gregory A; Bennett Joel S; DeGrado William F
Computational design of peptides that target transmembrane helices.
Science (New York, N.Y.) 2007;315(5820):1817-22.
2007: Dal Peraro M; Spiegel Katrin; Lamoureux Guillaume; De Vivo Marco; DeGrado William F; Klein Michael L
Modeling the charge distribution at metal sites in proteins for molecular dynamics simulations.
Journal of structural biology 2007;157(3):444-53.
2007: Senes Alessandro; Chadi Deborah C; Law Peter B; Walters Robin F S; Nanda Vikas; Degrado William F
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 2007;366(2):436-48.
2006: Yin Hang; Litvinov Rustem I; Vilaire Gaston; Zhu Hua; Li Wei; Caputo Gregory A; Moore David T; Lear James D; Weisel John W; Degrado William F; Bennett Joel S
Activation of platelet alphaIIbbeta3 by an exogenous peptide corresponding to the transmembrane domain of alphaIIb.
The Journal of biological chemistry 2006;281(48):36732-41.
2006: Fang Chong; Senes Alessandro; Cristian Lidia; DeGrado William F; Hochstrasser Robin M
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;103(45):16740-5.
2006: Walters R F S; DeGrado W F
Helix-packing motifs in membrane proteins.
Proceedings of the National Academy of Sciences of the United States of America 2006;103(37):13658-63.
2006: Bunagan Michelle R; Cristian Lidia; DeGrado William F; Gai Feng
Truncation of a cross-linked GCN4-p1 coiled coil leads to ultrafast folding.
Biochemistry 2006;45(36):10981-6.
2006: Wade Herschel; Stayrook Steven E; Degrado William F
The structure of a designed diiron(III) protein: implications for cofactor stabilization and catalysis.
Angewandte Chemie (International ed. in English) 2006;45(30):4951-4.
2006: Yin Hang; Gerlach Lars Ole; Miller Meredith W; Moore David T; Liu Dahui; Vilaire Gaston; Bennett Joel S; DeGrado William F
Arylamide derivatives as allosteric inhibitors of the integrin alpha2beta1/type I collagen interaction.
Bioorganic & medicinal chemistry letters 2006;16(13):3380-2.
2006: North Benjamin; Cristian Lidia; Fu Stowell Xiaoran; Lear James D; Saven Jeffrey G; Degrado William F
Characterization of a membrane protein folding motif, the Ser zipper, using designed peptides.
Journal of molecular biology 2006;359(4):930-9.
2006: Litvinov Rustem I; Vilaire Gaston; Li Wei; DeGrado William F; Weisel John W; Bennett Joel S
Activation of individual alphaIIbbeta3 integrin molecules by disruption of transmembrane domain interactions in the absence of clustering.
Biochemistry 2006;45(15):4957-64.
2006: Tatko Chad D; Nanda Vikas; Lear James D; Degrado William F
Polar networks control oligomeric assembly in membranes.
Journal of the American Chemical Society 2006;128(13):4170-1.
2006: Pophristic Vojislava; Vemparala Satyavani; Ivanov Ivaylo; Liu Zhiwei; Klein Michael L; DeGrado William F
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;110(8):3517-26.
2006: Ivanov Ivaylo; Vemparala Satyavani; Pophristic Vojislava; Kuroda Kenichi; DeGrado William F; McCammon J Andrew; Klein Michael L
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;128(6):1778-9.
2006: Yin Hang; Frederick Kendra K; Liu Dahui; Wand A Joshua; Degrado William F
Arylamide derivatives as peptidomimetic inhibitors of calmodulin.
Organic letters 2006;8(2):223-5.
2005: Geremia Silvano; Di Costanzo Luigi; Randaccio Lucio; Engel Donald E; Lombardi Angela; Nastri Flavia; DeGrado William F
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;127(49):17266-76.
2005: Wang Ting; Lau Wai Leung; DeGrado William F; Gai Feng
T-jump infrared study of the folding mechanism of coiled-coil GCN4-p1.
Biophysical journal 2005;89(6):4180-7.
2005: Engel Donald E; DeGrado William F
Alpha-alpha linking motifs and interhelical orientations.
Proteins 2005;61(2):325-37.
2005: Choi Sungwook; Clements Dylan J; Pophristic Vojislava; Ivanov Ivaylo; Vemparala Satyavani; Bennett Joel S; Klein Michael L; Winkler Jeffrey D; DeGrado William F
The design and evaluation of heparin-binding foldamers.
Angewandte Chemie (International ed. in English) 2005;44(41):6685-9.
2005: Summa Christopher M; Levitt Michael; Degrado William F
An atomic environment potential for use in protein structure prediction.
Journal of molecular biology 2005;352(4):986-1001.
2005: Maglio Ornella; Nastri Flavia; Calhoun Jennifer R; Lahr Stephen; Wade Herschel; Pavone Vincenzo; DeGrado William F; Lombardi Angela
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;10(5):539-49.
2005: Willcox P Jeanene; Reinhart-King Cynthia A; Lahr Steven J; DeGrado William F; Hammer Daniel A
Dynamic heterodimer-functionalized surfaces for endothelial cell adhesion.
Biomaterials 2005;26(23):4757-66.
2005: Cristian Lidia; Nanda Vikas; Lear James D; DeGrado William F
Synergistic interactions between aqueous and membrane domains of a designed protein determine its fold and stability.
Journal of molecular biology 2005;348(5):1225-33.
2005: Slovic Avram M; Stayrook Steven E; North Benjamin; Degrado William F
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;348(3):777-87.
2005: Nanda Vikas; DeGrado William F
Automated use of mutagenesis data in structure prediction.
Proteins 2005;59(3):454-66.
2005: Nanda Vikas; Rosenblatt Michael M; Osyczka Artur; Kono Hidetoshi; Getahun Zelleka; Dutton P Leslie; Saven Jeffery G; Degrado William F
De novo design of a redox-active minimal rubredoxin mimic.
Journal of the American Chemical Society 2005;127(16):5804-5.
2005: Slovic A M; Lear J D; DeGrado W F
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;65(3):312-21.
2005: Kuroda Kenichi; DeGrado William F
Amphiphilic polymethacrylate derivatives as antimicrobial agents.
Journal of the American Chemical Society 2005;127(12):4128-9.
2005: Stouffer Amanda L; Nanda Vikas; Lear James D; DeGrado William F
Sequence determinants of a transmembrane proton channel: an inverse relationship between stability and function.
Journal of molecular biology 2005;347(1):169-79.
2005: Lahr Steven J; Engel Donald E; Stayrook Steven E; Maglio Ornella; North Benjamin; Geremia Silvano; Lombardi Angela; DeGrado William F
Analysis and design of turns in alpha-helical hairpins.
Journal of molecular biology 2005;346(5):1441-54.
2005: Cochran Frank V; Wu Sophia P; Wang Wei; Nanda Vikas; Saven Jeffery G; Therien Michael J; DeGrado William F
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;127(5):1346-7.
2005: Li Wei; Metcalf Douglas G; Gorelik Roman; Li Renhao; Mitra Neal; Nanda Vikas; Law Peter B; Lear James D; Degrado William F; Bennett Joel S
A push-pull mechanism for regulating integrin function.
Proceedings of the National Academy of Sciences of the United States of America 2005;102(5):1424-9.
2005: Calhoun Jennifer R; Nastri Flavia; Maglio Ornella; Pavone Vincenzo; Lombardi Angela; DeGrado William F
Artificial diiron proteins: from structure to function.
Biopolymers 2005;80(2-3):264-78.
2004: Ghirlanda Giovanna; Hilcove Simon A; Pidikiti Ravindernath; Johansson Jonas S; Lear James D; Degrado William F; Eckenhoff Roderic G
Volatile anesthetic modulation of oligomerization equilibria in a hexameric model peptide.
FEBS letters 2004;578(1-2):140-4.
2004: Nanda Vikas; Degrado William F
Simulated evolution of emergent chiral structures in polyalanine.
Journal of the American Chemical Society 2004;126(44):14459-67.
2004: Lear James D; Stouffer Amanda L; Gratkowski Holly; Nanda Vikas; Degrado William F
Association of a model transmembrane peptide containing gly in a heptad sequence motif.
Biophysical journal 2004;87(5):3421-9.
2004: Doerksen Robert J; Chen Bin; Liu Dahui; Tew Gregory N; Degrado William F; Klein Michael L
Controlling the conformation of arylamides: computational studies of intramolecular hydrogen bonds between amides and ethers or thioethers.
Chemistry (Weinheim an der Bergstrasse, Germany) 2004;10(20):5008-16.
2004: Senes Alessandro; Engel Donald E; DeGrado William F
Folding of helical membrane proteins: the role of polar, GxxxG-like and proline motifs.
Current opinion in structural biology 2004;14(4):465-79.
2004: Kaplan J; DeGrado W F
De novo design of catalytic proteins.
Proceedings of the National Academy of Sciences of the United States of America 2004;101(32):11566-70.
2004: Ghirlanda Giovanna; Osyczka Artur; Liu Weixia; Antolovich Michael; Smith Kevin M; Dutton P Leslie; Wand A Joshua; DeGrado William F
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;126(26):8141-7.
2004: Li R; Bennett J S; Degrado W F
Structural basis for integrin alphaIIbbeta3 clustering.
Biochemical Society transactions 2004;32(Pt3):412-5.
2004: Li Renhao; Gorelik Roman; Nanda Vikas; Law Peter B; Lear James D; DeGrado William F; Bennett Joel S
Dimerization of the transmembrane domain of Integrin alphaIIb subunit in cell membranes.
The Journal of biological chemistry 2004;279(25):26666-73.
2004: Tucker Matthew J; Getahun Zelleka; Nanda Vikas; DeGrado William F; Gai Feng
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;126(16):5078-9.
2004: Engel Donald E; DeGrado William F
Amino acid propensities are position-dependent throughout the length of alpha-helices.
Journal of molecular biology 2004;337(5):1195-205.
2004: Liu Dahui; Choi Sungwook; Chen Bin; Doerksen Robert J; Clements Dylan J; Winkler Jeffrey D; Klein Michael L; DeGrado William F
Nontoxic membrane-active antimicrobial arylamide oligomers.
Angewandte Chemie (International ed. in English) 2004;43(9):1158-62.
2004: Slovic Avram M; Kono Hidetoshi; Lear James D; Saven Jeffery G; DeGrado William F
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;101(7):1828-33.
2004: Lau Wai Leung; Ege David S; Lear James D; Hammer Daniel A; DeGrado William F
Oligomerization of fusogenic peptides promotes membrane fusion by enhancing membrane destabilization.
Biophysical journal 2004;86(1 Pt 1):272-84.
2003: Zhu Yongjin; Alonso Darwin O V; Maki Kosuke; Huang Cheng-Yen; Lahr Steven J; Daggett Valerie; Roder Heinrich; DeGrado William F; Gai Feng
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;100(26):15486-91.
2003: Cristian Lidia; Lear James D; DeGrado William 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;100(25):14772-7.
2003: Calhoun Jennifer R; Kono Hidetoshi; Lahr Steven; Wang Wei; DeGrado William F; Saven Jeffery G
Computational design and characterization of a monomeric helical dinuclear metalloprotein.
Journal of molecular biology 2003;334(5):1101-15.
2003: Signarvic Rachel S; DeGrado William F
De novo design of a molecular switch: phosphorylation-dependent association of designed peptides.
Journal of molecular biology 2003;334(1):1-12.
2003: Cristian Lidia; Lear James D; DeGrado William F
Determination of membrane protein stability via thermodynamic coupling of folding to thiol-disulfide interchange.
Protein science : a publication of the Protein Society 2003;12(8):1732-40.
2003: Lear James D; Gratkowski Holly; Adamian Larisa; Liang Jie; DeGrado William F
Position-dependence of stabilizing polar interactions of asparagine in transmembrane helical bundles.
Biochemistry 2003;42(21):6400-7.
2003: Li Renhao; Mitra Neal; Gratkowski Holly; Vilaire Gaston; Litvinov Rustem; Nagasami Chandrasekaran; Weisel John W; Lear James D; DeGrado William F; Bennett Joel S
Activation of integrin alphaIIbbeta3 by modulation of transmembrane helix associations.
Science (New York, N.Y.) 2003;300(5620):795-8.
2003: Maglio Ornella; Nastri Flavia; Pavone Vincenzo; Lombardi Angela; DeGrado William F
Preorganization of molecular binding sites in designed diiron proteins.
Proceedings of the National Academy of Sciences of the United States of America 2003;100(7):3772-7.
2003: DeGrado William F; Gratkowski Holly; Lear James D
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;12(4):647-65.
2003: Walsh Scott T R; Cheng Richard P; Wright Wayne W; Alonso Darwin O V; Daggett Valerie; Vanderkooi Jane M; DeGrado William F
The hydration of amides in helices; a comprehensive picture from molecular dynamics, IR, and NMR.
Protein science : a publication of the Protein Society 2003;12(3):520-31.
2003: Slovic Avram M; Summa Christopher M; Lear James D; DeGrado William F
Computational design of a water-soluble analog of phospholamban.
Protein science : a publication of the Protein Society 2003;12(2):337-48.
2003: Li Renhao; Hoess Ronald H; Bennett Joel S; DeGrado William F
Use of phage display to probe the evolution of binding specificity and affinity in integrins.
Protein engineering 2003;16(1):65-72.
2003: DeGrado William F; Di Costanzo Luigi; Geremia Silvano; Lombardi Angela; Pavone Vincenzo; Randaccio Lucio
Sliding helix and change of coordination geometry in a model di-MnII protein.
Angewandte Chemie (International ed. in English) 2003;42(4):417-20.
2003: Getahun Zelleka; Huang Cheng-Yen; Wang Ting; De León Brenda; DeGrado William F; Gai Feng
Using nitrile-derivatized amino acids as infrared probes of local environment.
Journal of the American Chemical Society 2003;125(2):405-11.
2002: Li Renhao; Babu Charles R; Valentine Kathleen; Lear James D; Wand A Joshua; Bennett Joel S; DeGrado William F
Characterization of the monomeric form of the transmembrane and cytoplasmic domains of the integrin beta 3 subunit by NMR spectroscopy.
Biochemistry 2002;41(52):15618-24.
2002: Huang Cheng-Yen; He Shu; DeGrado William F; McCafferty Dewey G; Gai Feng
Light-induced helix formation.
Journal of the American Chemical Society 2002;124(43):12674-5.
2002: Cheng Richard P; DeGrado William F
Long-range interactions stabilize the fold of a non-natural oligomer.
Journal of the American Chemical Society 2002;124(39):11564-5.
2002: Gratkowski Holly; Dai Qing-Hong; Wand A Joshua; DeGrado William F; Lear James D
Cooperativity and specificity of association of a designed transmembrane peptide.
Biophysical journal 2002;83(3):1613-9.
2002: Summa Christopher M; Rosenblatt Michael M; Hong Jae-Kyoung; Lear James D; DeGrado William F
Computational de novo design, and characterization of an A(2)B(2) diiron protein.
Journal of molecular biology 2002;321(5):923-38.
2002: Ghirlanda Giovanna; Lear James D; Ogihara Nancy L; Eisenberg David; DeGrado William F
A hierarchic approach to the design of hexameric helical barrels.
Journal of molecular biology 2002;319(1):243-53.
2002: Marsh E Neil G; DeGrado William F
Noncovalent self-assembly of a heterotetrameric diiron protein.
Proceedings of the National Academy of Sciences of the United States of America 2002;99(8):5150-4.
2002: Tew Gregory N; Liu Dahui; Chen Bin; Doerksen Robert J; Kaplan Justin; Carroll Patrick J; Klein Michael L; DeGrado William F
De novo design of biomimetic antimicrobial polymers.
Proceedings of the National Academy of Sciences of the United States of America 2002;99(8):5110-4.
2002: Huang Cheng-Yen; Getahun Zelleka; Zhu Yongjin; Klemke Jason W; DeGrado William F; Gai Feng
Helix formation via conformation diffusion search.
Proceedings of the National Academy of Sciences of the United States of America 2002;99(5):2788-93.
2001: Di Costanzo L; Wade H; Geremia S; Randaccio L; Pavone V; DeGrado W F; Lombardi A
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;123(51):12749-57.
2001: Cheng R P; Suich D J; Cheng H; Roder H; DeGrado W F
Template-constrained somatostatin analogues: a biphenyl linker induces a type-V' turn.
Journal of the American Chemical Society 2001;123(50):12710-1.
2001: Huang C Y; Getahun Z; Wang T; DeGrado W F; Gai F
Time-resolved infrared study of the helix-coil transition using (13)C-labeled helical peptides.
Journal of the American Chemical Society 2001;123(48):12111-2.
2001: Cheng R P; Gellman S H; DeGrado W F
beta-Peptides: from structure to function.
Chemical reviews 2001;101(10):3219-32.
2001: Li R; Babu C R; Lear J D; Wand A J; Bennett J S; DeGrado W 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;98(22):12462-7.
2001: Huang C Y; Klemke J W; Getahun Z; DeGrado W F; Gai F
Temperature-dependent helix-coil transition of an alanine based peptide.
Journal of the American Chemical Society 2001;123(38):9235-8.
2001: Walsh S T; Lee A L; DeGrado W F; Wand A J
Dynamics of a de novo designed three-helix bundle protein studied by 15N, 13C, and 2H NMR relaxation methods.
Biochemistry 2001;40(32):9560-9.
2001: North B; Summa C M; Ghirlanda G; DeGrado W F
D(n)-symmetrical tertiary templates for the design of tubular proteins.
Journal of molecular biology 2001;311(5):1081-90.
2001: Lear J D; Gratkowski H; DeGrado W F
De novo design, synthesis and characterization of membrane-active peptides.
Biochemical Society transactions 2001;29(Pt 4):559-64.
2001: Liu D; DeGrado W F
De novo design, synthesis, and characterization of antimicrobial beta-peptides.
Journal of the American Chemical Society 2001;123(31):7553-9.
2001: Cheng R P; DeGrado W F
De novo design of a monomeric helical beta-peptide stabilized by electrostatic interactions.
Journal of the American Chemical Society 2001;123(21):5162-3.
2001: Pasternak A; Kaplan J; Lear J D; Degrado W F
Proton and metal ion-dependent assembly of a model diiron protein.
Protein science : a publication of the Protein Society 2001;10(5):958-69.
2001: Ogihara N L; Ghirlanda G; Bryson J W; Gingery M; DeGrado W F; Eisenberg D
Design of three-dimensional domain-swapped dimers and fibrous oligomers.
Proceedings of the National Academy of Sciences of the United States of America 2001;98(4):1404-9.
2001: Gratkowski H; Lear J D; DeGrado W F
Polar side chains drive the association of model transmembrane peptides.
Proceedings of the National Academy of Sciences of the United States of America 2001;98(3):880-5.
2001: Walsh S T; Sukharev V I; Betz S F; Vekshin N L; DeGrado W F
Hydrophobic core malleability of a de novo designed three-helix bundle protein.
Journal of molecular biology 2001;305(2):361-73.
2000: Talaga D S; Lau W L; Roder H; Tang J; Jia Y; DeGrado W F; Hochstrasser R M
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;97(24):13021-6.
2000: Salom D; Hill B R; Lear J D; DeGrado W F
pH-dependent tetramerization and amantadine binding of the transmembrane helix of M2 from the influenza A virus.
Biochemistry 2000;39(46):14160-70.
2000: O'Neil K T; Bach A C; DeGrado W F
Structural consequences of an amino acid deletion in the B1 domain of protein G.
Proteins 2000;41(3):323-33.
2000: Suich D J; Mousa S A; Singh G; Liapakis G; Reisine T; DeGrado W F
Template-constrained cyclic peptide analogues of somatostatin: subtype-selective binding to somatostatin receptors and antiangiogenic activity.
Bioorganic & medicinal chemistry 2000;8(9):2229-41.
2000: Lombardi A; Summa C M; Geremia S; Randaccio L; Pavone V; DeGrado W F
Inaugural article: 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;97(12):6298-305.
2000: Helluin O; Chan C; Vilaire G; Mousa S; DeGrado W F; Bennett J S
The activation state of alphavbeta 3 regulates platelet and lymphocyte adhesion to intact and thrombin-cleaved osteopontin.
The Journal of biological chemistry 2000;275(24):18337-43.
2000: Choma C; Gratkowski H; Lear J D; DeGrado W F
Asparagine-mediated self-association of a model transmembrane helix.
Nature structural biology 2000;7(2):161-6.
1999: DeGrado W F; Schneider J P; Hamuro Y
The twists and turns of beta-peptides.
The journal of peptide research : official journal of the American Peptide Society 1999;54(3):206-17.
1999: Summa C M; Lombardi A; Lewis M; DeGrado W F
Tertiary templates for the design of diiron proteins.
Current opinion in structural biology 1999;9(4):500-8.
1999: Patterson W R; Anderson D H; DeGrado W F; Cascio D; Eisenberg D
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;8(7):1410-22.
1999: Walsh S T; Cheng H; Bryson J W; Roder H; DeGrado W F
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;96(10):5486-91.
1999: Hamm P; Lim M; DeGrado W F; Hochstrasser R M
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;96(5):2036-41.
1999: Gandhi C S; Shuck K; Lear J D; Dieckmann G R; DeGrado W F; Lamb R A; Pinto L H
Cu(II) inhibition of the proton translocation machinery of the influenza A virus M2 protein.
The Journal of biological chemistry 1999;274(9):5474-82.
1999: Dieckmann G R; Lear J D; Zhong Q; Klein M L; DeGrado W F; Sharp K A
Exploration of the structural features defining the conduction properties of a synthetic ion channel.
Biophysical journal 1999;76(2):618-30.
1999: DeGrado W F; Summa C M; Pavone V; Nastri F; Lombardi A
De novo design and structural characterization of proteins and metalloproteins.
Annual review of biochemistry 1999;68():779-819.
1998: Ghirlanda G; Lear J D; Lombardi A; DeGrado W F
From synthetic coiled coils to functional proteins: automated design of a receptor for the calmodulin-binding domain of calcineurin.
Journal of molecular biology 1998;281(2):379-91.
1998: Dieckmann G R; McRorie D K; Lear J D; Sharp K A; DeGrado W F; Pecoraro V L
The role of protonation and metal chelation preferences in defining the properties of mercury-binding coiled coils.
Journal of molecular biology 1998;280(5):897-912.
1997: DeGrado W F
Proteins from scratch.
Science (New York, N.Y.) 1997;278(5335):80-1.
1997: Pinto L H; Dieckmann G R; Gandhi C S; Papworth C G; Braman J; Shaughnessy M A; Lear J D; Lamb R A; DeGrado W F
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;94(21):11301-6.
1997: Dieckmann G R; DeGrado W F
Modeling transmembrane helical oligomers.
Current opinion in structural biology 1997;7(4):486-94.
1997: Bennett J S; Chan C; Vilaire G; Mousa S A; DeGrado W F
Agonist-activated alphavbeta3 on platelets and lymphocytes binds to the matrix protein osteopontin.
The Journal of biological chemistry 1997;272(13):8137-40.
1997: Betz S F; Liebman P A; DeGrado W F
De novo design of native proteins: characterization of proteins intended to fold into antiparallel, rop-like, four-helix bundles.
Biochemistry 1997;36(9):2450-8.
1997: Ogihara N L; Weiss M S; Degrado W F; Eisenberg D
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;6(1):80-8.

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