William F. DeGrado, Ph.D. - Publications

Affiliations: 
1996-2011 University of Pennsylvania, Philadelphia, PA, United States 
 2011- Pharmaceutical Chemistry University of California, San Francisco, San Francisco, CA 
Area:
Organic Chemistry, Chemical Biology, De Novo Protein Design
Website:
http://www.degradolab.org/index.php

292 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any innacuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Wu H, Saltzberg DJ, Kratochvil HT, Jo H, Sali A, DeGrado WF. Glutamine side chain 13C=18O as a non-perturbative IR probe of amyloid fibril hydration and assembly. Journal of the American Chemical Society. PMID 30998340 DOI: 10.1021/jacs.9b00577  0.64
2019 Lombardi A, Pirro F, Maglio O, Chino M, DeGrado WF. De Novo Design of Four-Helix Bundle Metalloproteins: One Scaffold, Diverse Reactivities. Accounts of Chemical Research. PMID 30973707 DOI: 10.1021/acs.accounts.8b00674  0.44
2019 Zhang K, Ahmed IA, Kratochvil HT, DeGrado WF, Gai F, Jo H. Synthesis and application of the blue fluorescent amino acid l-4-cyanotryptophan to assess peptide-membrane interactions. Chemical Communications (Cambridge, England). PMID 30957824 DOI: 10.1039/c9cc01152h  0.8
2019 Dang B, Mravic M, Hu H, Schmidt N, Mensa B, DeGrado WF. SNAC-tag for sequence-specific chemical protein cleavage. Nature Methods. 16: 319-322. PMID 30923372 DOI: 10.1038/s41592-019-0357-3  0.6
2019 Mravic M, Thomaston JL, Tucker M, Solomon PE, Liu L, DeGrado WF. Packing of apolar side chains enables accurate design of highly stable membrane proteins. Science (New York, N.Y.). 363: 1418-1423. PMID 30923216 DOI: 10.1126/science.aav7541  0.6
2019 Ahmed IA, Acharyya A, Eng CM, Rodgers JM, DeGrado WF, Jo H, Gai F. 4-Cyanoindole-2'-deoxyribonucleoside as a Dual Fluorescence and Infrared Probe of DNA Structure and Dynamics. Molecules (Basel, Switzerland). 24. PMID 30744004 DOI: 10.3390/molecules24030602  0.8
2019 Acharyya A, Ge Y, Wu H, DeGrado WF, Voelz VA, Gai F. Exposing the Nucleation Site in α-Helix Folding: A Joint Experimental and Simulation Study. The Journal of Physical Chemistry. B. PMID 30694671 DOI: 10.1021/acs.jpcb.8b12220  0.8
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, ... ... DeGrado WF, et al. Actionable Activating Oncogenic ERBB2/HER2 Transmembrane and Juxtamembrane Domain Mutations. Cancer Cell. 34: 792-806.e5. PMID 30449325 DOI: 10.1016/j.ccell.2018.09.010  0.6
2018 Yang B, Wu H, Schnier PD, Liu Y, Liu J, Wang N, DeGrado WF, Wang L. 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. PMID 30322930 DOI: 10.1073/pnas.1813574115  0.64
2018 Chino M, Zhang SQ, Pirro F, Leone L, Maglio O, Lombardi A, DeGrado WF. Spectroscopic and metal binding properties of a de novo metalloprotein binding a tetrazinc cluster. Biopolymers. e23339. PMID 30203532 DOI: 10.1002/bip.23229  0.6
2018 Thomaston JL, Polizzi NF, Konstantinidi A, Wang J, Kolocouris A, DeGrado WF. Inhibitors of the M2 proton channel engage and disrupt transmembrane networks of hydrogen-bonded waters. Journal of the American Chemical Society. PMID 30165017 DOI: 10.1021/jacs.8b06741  0.84
2018 Liu J, Cheng R, Wu H, Li S, Wang PG, DeGrado WF, Rozovsky S, Wang L. Building and Breaking Bonds via a Compact S-propargyl-cysteine to Chemically Control Enzymes and Modify Proteins. Angewandte Chemie (International Ed. in English). PMID 30118570 DOI: 10.1002/anie.201806197  0.64
2018 Bokoch MP, Jo H, Valcourt JR, Srinivasan Y, Pan AC, Capponi S, Grabe M, Dror RO, Shaw DE, DeGrado WF, Coughlin SR. Entry from the lipid bilayer: a possible pathway for inhibition of a peptide G protein-coupled receptor by a lipophilic small molecule. Biochemistry. PMID 30102523 DOI: 10.1021/acs.biochem.8b00577  0.64
2018 Zhang SQ, Huang H, Yang J, Kratochvil HT, Lolicato M, Liu Y, Shu X, Liu L, DeGrado WF. Designed peptides that assemble into cross-α amyloid-like structures. Nature Chemical Biology. PMID 30061717 DOI: 10.1038/s41589-018-0105-5  0.6
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, et al. Peptide-Programmable Nanoparticle Superstructures with Tailored Electrocatalytic Activity. Acs Nano. PMID 29842775 DOI: 10.1021/acsnano.8b01146  0.68
2018 Bhate MP, Lemmin T, Kuenze G, Mensa B, Ganguly S, Peters J, Schmidt N, Pelton JG, Gross C, Meiler J, DeGrado WF. Structure and function of the transmembrane domain of NsaS, an antibiotic sensing histidine kinase in S. aureus. Journal of the American Chemical Society. PMID 29771498 DOI: 10.1021/jacs.7b09670  0.52
2018 Wu H, Acharyya A, Wu Y, Liu L, Jo H, Gai F, DeGrado W. Design of a short thermally stable α-helix embedded in a macrocycle. Chembiochem : a European Journal of Chemical Biology. PMID 29417711 DOI: 10.1002/cbic.201800026  0.8
2018 Nick M, Wu Y, Schmidt NW, Prusiner SB, Stöhr J, DeGrado WF. A long-lived aβ oligomer resistant to fibrillization. Biopolymers. PMID 29319162 DOI: 10.1002/bip.23096  0.76
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, ... ... DeGrado WF, et al. 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. PMID 29311311 DOI: 10.1073/pnas.1714966115  0.76
2017 Yang B, Tang S, Ma C, Li ST, Shao GC, Dang B, DeGrado WF, Dong MQ, Wang PG, Ding S, Wang L. Spontaneous and specific chemical cross-linking in live cells to capture and identify protein interactions. Nature Communications. 8: 2240. PMID 29269770 DOI: 10.1038/s41467-017-02409-z  0.84
2017 Zhang SQ, Chino M, Liu L, Tang Y, Hu X, DeGrado WF, Lombardi A. De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles. Journal of the American Chemical Society. PMID 29249157 DOI: 10.1021/jacs.7b08261  0.8
2017 Polizzi NF, Wu Y, Lemmin T, Maxwell AM, Zhang SQ, Rawson J, Beratan DN, Therien MJ, DeGrado WF. De novo design of a hyperstable non-natural protein-ligand complex with sub-Å accuracy. Nature Chemistry. 9: 1157-1164. PMID 29168496 DOI: 10.1038/nchem.2846  0.8
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. Self-assembling dipeptide antibacterial nanostructures with membrane disrupting activity. Nature Communications. 8: 1365. PMID 29118336 DOI: 10.1038/s41467-017-01447-x  0.72
2017 Dang B, Wu H, Mulligan VK, Mravic M, Wu Y, Lemmin T, Ford A, Silva DA, Baker D, DeGrado WF. 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. PMID 28973862 DOI: 10.1073/pnas.1710695114  0.76
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, ... ... DeGrado WF, et al. A 31-residue peptide induces aggregation of tau's microtubule-binding region in cells. Nature Chemistry. 9: 874-881. PMID 28837163 DOI: 10.1038/nchem.2754  0.8
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, ... ... DeGrado WF, et al. 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. PMID 28835537 DOI: 10.1073/pnas.1705624114  0.6
2017 Joh NH, Grigoryan G, Wu Y, 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. 372. PMID 28630154 DOI: 10.1098/rstb.2016.0214  1
2017 Lee M, Wang T, Makhlynets OV, Wu Y, Polizzi NF, Wu H, Gosavi PM, Stöhr J, Korendovych IV, DeGrado WF, Hong M. Zinc-binding structure of a catalytic amyloid from solid-state NMR. Proceedings of the National Academy of Sciences of the United States of America. PMID 28566494 DOI: 10.1073/pnas.1706179114  1
2017 Hilaire MR, Ahmed IA, Lin CW, Jo H, DeGrado WF, Gai F. Blue fluorescent amino acid for biological spectroscopy and microscopy. Proceedings of the National Academy of Sciences of the United States of America. PMID 28533371 DOI: 10.1073/pnas.1705586114  0.8
2017 Wang T, Jo H, DeGrado WF, Hong M. Water Distribution, Dynamics and Interactions with Alzheimer's β-Amyloid Fibrils Investigated by Solid-State NMR. Journal of the American Chemical Society. PMID 28406028 DOI: 10.1021/jacs.7b02089  0.8
2017 Lin CW, Mensa B, Barniol-Xicota M, DeGrado WF, Gai F. Activation pH and Gating Dynamics of Influenza A M2 Proton Channel Revealed by Single-Molecule Spectroscopy. Angewandte Chemie (International Ed. in English). PMID 28374543 DOI: 10.1002/anie.201701874  0.8
2017 Findeisen F, Campiglio M, Jo H, Abderemane-Ali F, Rumpf CH, Pope L, Rossen ND, Flucher BE, DeGrado WF, Minor DL. Stapled voltage-gated calcium channel (CaV) α-interaction domain (AID) peptides act as selective protein-protein interaction inhibitors of CaV function. Acs Chemical Neuroscience. PMID 28278376 DOI: 10.1021/acschemneuro.6b00454  0.64
2017 Chang Y, Lau WL, Jo H, Tsujino K, Gewin L, Reed NI, Atakilit A, Nunes AC, DeGrado WF, Sheppard D. Pharmacologic Blockade of αvβ1 Integrin Ameliorates Renal Failure and Fibrosis In Vivo. Journal of the American Society of Nephrology : Jasn. PMID 28220032 DOI: 10.1681/ASN.2015050585  0.8
2017 Hu Y, Musharrafieh R, Ma C, Zhang J, Smee DF, DeGrado WF, Wang J. An M2-V27A channel blocker demonstrates potent in vitro and in vivo antiviral activities against amantadine-sensitive and -resistant influenza A viruses. Antiviral Research. PMID 28087313 DOI: 10.1016/j.antiviral.2017.01.006  0.84
2016 Schmidt NW, Grigoryan G, DeGrado WF. 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. PMID 27977891 DOI: 10.1002/pro.3095  1
2016 Liang R, Swanson JM, Madsen JJ, Hong M, DeGrado WF, Voth GA. Acid activation mechanism of the influenza A M2 proton channel. Proceedings of the National Academy of Sciences of the United States of America. PMID 27791184 DOI: 10.1073/pnas.1615471113  0.8
2016 Reed NI, Tang YZ, McIntosh J, Wu Y, Molnar KS, Civitavecchia A, Sheppard D, DeGrado WF, Jo H. Exploring N-Arylsulfonyl-l-proline Scaffold as a Platform for Potent and Selective αvβ1 Integrin Inhibitors. Acs Medicinal Chemistry Letters. 7: 902-907. PMID 27774126 DOI: 10.1021/acsmedchemlett.6b00196  1
2016 Markiewicz BN, Lemmin T, Zhang W, Ahmed IA, Jo H, Fiorin G, Troxler T, DeGrado WF, Gai F. Infrared and fluorescence assessment of the hydration status of the tryptophan gate in the influenza A M2 proton channel. Physical Chemistry Chemical Physics : Pccp. PMID 27725984 DOI: 10.1039/c6cp03426h  0.8
2016 Elkins MR, Wang T, Nick M, Jo H, Lemmin T, Prusiner SB, DeGrado WF, Stoehr J, Hong M. 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. PMID 27414264 DOI: 10.1021/jacs.6b03715  1
2016 Mustata GM, Kim YH, Zhang J, DeGrado WF, Grigoryan G, Wanunu M. Graphene Symmetry Amplified by Designed Peptide Self-Assembly. Biophysical Journal. 110: 2507-2516. PMID 27276268 DOI: 10.1016/j.bpj.2016.04.037  1
2016 To TL, Medzihradszky KF, Burlingame AL, DeGrado WF, Jo H, Shu X. Photoactivatable protein labeling by singlet oxygen mediated reactions. Bioorganic & Medicinal Chemistry Letters. PMID 27220724 DOI: 10.1016/j.bmcl.2016.05.034  1
2016 Kim KH, Ko DK, Kim YT, Kim NH, Paul J, Zhang SQ, Murray CB, Acharya R, DeGrado WF, Kim YH, Grigoryan G. Protein-directed self-assembly of a fullerene crystal. Nature Communications. 7: 11429. PMID 27113637 DOI: 10.1038/ncomms11429  1
2016 Thomaston JL, DeGrado WF. Crystal structure of the drug-resistant S31N influenza M2 proton channel. Protein Science : a Publication of the Protein Society. PMID 27082171 DOI: 10.1002/pro.2937  0.6
2016 Fong KP, Zhu H, Span LM, Moore DT, Yoon K, Tamura R, Yin HH, DeGrado WF, Bennett JS. Directly Activating αIIbβ3 Initiates Outside-In Signaling by Causing αIIbβ3 Clustering. The Journal of Biological Chemistry. PMID 27056329 DOI: 10.1074/jbc.M116.716613  1
2016 Ulas G, Lemmin T, Wu Y, Gassner GT, DeGrado WF. Designed metalloprotein stabilizes a semiquinone radical. Nature Chemistry. 8: 354-9. PMID 27001731 DOI: 10.1038/nchem.2453  1
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, et al. High-density grids for efficient data collection from multiple crystals. Acta Crystallographica. Section D, Structural Biology. 72: 2-11. PMID 26894529 DOI: 10.1107/S2059798315020847  0.48
2016 Li F, Ma C, DeGrado WF, Wang J. Discovery of highly potent inhibitors targeting the predominant drug-resistant S31N mutant of the influenza A virus M2 proton channel. Journal of Medicinal Chemistry. PMID 26771709 DOI: 10.1021/acs.jmedchem.5b01910  0.84
2015 Chino M, Maglio O, Nastri F, Pavone V, DeGrado WF, Lombardi A. Artificial Diiron Enzymes with a De Novo Designed Four-Helix Bundle Structure. European Journal of Inorganic Chemistry. 2015: 3371-3390. PMID 27630532 DOI: 10.1002/ejic.201500470  0.44
2015 Thomaston JL, Alfonso-Prieto M, Woldeyes RA, Fraser JS, Klein ML, Fiorin G, DeGrado WF. 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. 112: 14260-5. PMID 26578770 DOI: 10.1073/pnas.1518493112  1
2015 Lin YR, Koga N, Tatsumi-Koga R, Liu G, Clouser AF, Montelione GT, Baker D. Control over overall shape and size in de novo designed proteins. Proceedings of the National Academy of Sciences of the United States of America. PMID 26396255 DOI: 10.1073/pnas.1509508112  1
2015 Nagy-Smith K, Moore E, Schneider J, Tycko R. Molecular structure of monomorphic peptide fibrils within a kinetically trapped hydrogel network. Proceedings of the National Academy of Sciences of the United States of America. 112: 9816-21. PMID 26216960 DOI: 10.1073/pnas.1509313112  1
2015 Snyder RA, Betzu J, Butch SE, Reig AJ, DeGrado WF, Solomon EI. Systematic Perturbations of Binuclear Non-heme Iron Sites: Structure and Dioxygen Reactivity of de Novo Due Ferri Proteins. Biochemistry. 54: 4637-51. PMID 26154739 DOI: 10.1021/acs.biochem.5b00324  1
2015 Snyder RA, 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. PMID 26090726 DOI: 10.1021/jacs.5b03524  1
2015 Reed NI, Jo H, Chen C, Tsujino K, Arnold TD, DeGrado WF, Sheppard D. The αvβ1 integrin plays a critical in vivo role in tissue fibrosis. Science Translational Medicine. 7: 288ra79. PMID 25995225 DOI: 10.1126/scitranslmed.aaa5094  1
2015 Bhate MP, Molnar KS, Goulian M, DeGrado WF. Signal Transduction in Histidine Kinases: Insights from New Structures. Structure (London, England : 1993). 23: 981-994. PMID 25982528 DOI: 10.1016/j.str.2015.04.002  1
2015 Wu Y, Span LM, Nygren P, Zhu H, Moore DT, Cheng H, Roder H, DeGrado WF, Bennett JS. The Tyrosine Kinase c-Src Specifically Binds to the Active Integrin αIIbβ3 to Initiate Outside-in Signaling in Platelets. The Journal of Biological Chemistry. 290: 15825-34. PMID 25947380 DOI: 10.1074/jbc.M115.648428  1
2015 Zhang SQ, Kulp DW, Schramm CA, Mravic M, Samish I, DeGrado WF. The membrane- and soluble-protein helix-helix interactome: similar geometry via different interactions. Structure (London, England : 1993). 23: 527-41. PMID 25703378 DOI: 10.1016/j.str.2015.01.009  1
2015 Brady JP, Claridge JK, Smith PG, Schnell JR. A conserved amphipathic helix is required for membrane tubule formation by Yop1p. Proceedings of the National Academy of Sciences of the United States of America. 112: E639-48. PMID 25646439 DOI: 10.1073/pnas.1415882112  1
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. Computational design and experimental characterization of peptides intended for pH-dependent membrane insertion and pore formation. Acs Chemical Biology. 10: 1082-93. PMID 25630033 DOI: 10.1021/cb500759p  1
2015 Huang S, Green B, Thompson M, Chen R, Thomaston J, DeGrado WF, Howard KP. C-terminal juxtamembrane region of full-length M2 protein forms a membrane surface associated amphipathic helix. Protein Science : a Publication of the Protein Society. 24: 426-9. PMID 25545360 DOI: 10.1002/pro.2631  1
2015 Gianti E, Carnevale V, DeGrado WF, Klein ML, Fiorin G. 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. 119: 1173-83. PMID 25353315 DOI: 10.1021/jp506807y  1
2015 Chino M, Maglio O, Nastri F, Pavone V, Degrado WF, Lombardi A. Artificial Diiron Enzymes with a de novo Designed Four-Helix Bundle Structure European Journal of Inorganic Chemistry. DOI: 10.1002/ejic.201500470  1
2014 Joh NH, Wang T, Bhate MP, Acharya R, Wu Y, Grabe M, Hong M, Grigoryan G, DeGrado WF. De novo design of a transmembrane Zn²⁺-transporting four-helix bundle. Science (New York, N.Y.). 346: 1520-4. PMID 25525248 DOI: 10.1126/science.1261172  1
2014 Wu Y, Canturk B, Jo H, Ma C, Gianti E, Klein ML, Pinto LH, Lamb RA, Fiorin G, Wang J, 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. 136: 17987-95. PMID 25470189 DOI: 10.1021/ja508461m  1
2014 Dong H, Fiorin G, DeGrado WF, Klein ML. Proton release from the histidine-tetrad in the M2 channel of the influenza A virus. The Journal of Physical Chemistry. B. 118: 12644-51. PMID 25317959 DOI: 10.1021/jp5102225  1
2014 Seither KM, McMahon HA, Singh N, Wang H, Cushman-Nick M, Montalvo GL, DeGrado WF, Shorter J. Specific aromatic foldamers potently inhibit spontaneous and seeded Aβ42 and Aβ43 fibril assembly. The Biochemical Journal. 464: 85-98. PMID 25142005 DOI: 10.1042/BJ20131609  1
2014 Molnar KS, Bonomi M, Pellarin R, Clinthorne GD, Gonzalez G, Goldberg SD, Goulian M, Sali A, DeGrado WF. Cys-scanning disulfide crosslinking and bayesian modeling probe the transmembrane signaling mechanism of the histidine kinase, PhoQ. Structure (London, England : 1993). 22: 1239-51. PMID 25087511 DOI: 10.1016/j.str.2014.04.019  1
2014 Gonzalez G, Hannigan B, DeGrado WF. A real-time all-atom structural search engine for proteins. Plos Computational Biology. 10: e1003750. PMID 25079944 DOI: 10.1371/journal.pcbi.1003750  1
2014 Korendovych IV, DeGrado WF. Catalytic efficiency of designed catalytic proteins. Current Opinion in Structural Biology. 27: 113-21. PMID 25048695 DOI: 10.1016/j.sbi.2014.06.006  1
2014 Stöhr J, Condello C, Watts JC, Bloch L, Oehler A, Nick M, DeArmond SJ, Giles K, DeGrado WF, Prusiner SB. 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. 111: 10329-34. PMID 24982137 DOI: 10.1073/pnas.1408968111  1
2014 Ghosh A, Wang J, Moroz YS, Korendovych IV, Zanni M, DeGrado WF, Gai F, Hochstrasser RM. 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. 140: 235105. PMID 24952572 DOI: 10.1063/1.4881188  1
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. 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. 57: 5738-47. PMID 24941437 DOI: 10.1021/jm5005804  1
2014 Mensa B, Howell GL, Scott R, DeGrado WF. Comparative mechanistic studies of brilacidin, daptomycin, and the antimicrobial peptide LL16. Antimicrobial Agents and Chemotherapy. 58: 5136-45. PMID 24936592 DOI: 10.1128/AAC.02955-14  1
2014 Pavone V, Zhang SQ, Merlino A, Lombardi A, Wu Y, DeGrado WF. Crystal structure of an amphiphilic foldamer reveals a 48-mer assembly comprising a hollow truncated octahedron. Nature Communications. 5: 3581. PMID 24705140 DOI: 10.1038/ncomms4581  1
2014 Rufo CM, Moroz YS, Moroz OV, Stöhr J, Smith TA, Hu X, DeGrado WF, Korendovych IV. Short peptides self-assemble to produce catalytic amyloids. Nature Chemistry. 6: 303-9. PMID 24651196 DOI: 10.1038/nchem.1894  1
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. De novo design of self-assembling foldamers that inhibit heparin-protein interactions. Acs Chemical Biology. 9: 967-75. PMID 24491145 DOI: 10.1021/cb500026x  1
2014 Polishchuk AL, Cristian L, Pinto LH, Lear JD, DeGrado WF. Mechanistic insights from functional characterization of an unnatural His37 mutant of the influenza A/M2 protein. Biochimica Et Biophysica Acta. 1838: 1082-7. PMID 24269540 DOI: 10.1016/j.bbamem.2013.11.011  1
2014 Montalvo GL, Gai F, Roder H, DeGrado WF. Slow folding-unfolding kinetics of an octameric β-peptide bundle. Acs Chemical Biology. 9: 276-81. PMID 24164344 DOI: 10.1021/cb400621y  1
2013 Roxbury D, Zhang SQ, Mittal J, Degrado WF, Jagota A. Structural Stability and Binding Strength of a Designed Peptide-Carbon Nanotube Hybrid. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 117: 26255-26261. PMID 24466357 DOI: 10.1021/jp405618p  1
2013 Nanda V, Cristian L, Toptygin D, Brand L, Degrado WF. Nanosecond Dynamics of InfluenzaA/M2TM and an Amantadine Resistant Mutant Probed by Time-Dependent Red Shifts of a Native Tryptophan. Chemical Physics. 422. PMID 24273370 DOI: 10.1016/j.chemphys.2012.12.018  1
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. 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. 56: 9265-74. PMID 24237039 DOI: 10.1021/jm401340p  1
2013 Markiewicz BN, Jo H, Culik RM, DeGrado WF, Gai F. Assessment of local friction in protein folding dynamics using a helix cross-linker. The Journal of Physical Chemistry. B. 117: 14688-96. PMID 24205975 DOI: 10.1021/jp409334h  1
2013 Ma C, Fiorin G, Carnevale V, Wang J, Lamb RA, Klein ML, Wu Y, Pinto LH, DeGrado WF. Asp44 stabilizes the Trp41 gate of the M2 proton channel of influenza A virus. Structure (London, England : 1993). 21: 2033-41. PMID 24139991 DOI: 10.1016/j.str.2013.08.029  1
2013 Dong H, Fiorin G, Degrado WF, Klein ML. 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. 4: 3067-3071. PMID 24069512 DOI: 10.1021/jz401672h  1
2013 Rudick JG, Laakso MM, Schloss AC, DeGrado WF. Template-constrained cyclic sulfopeptide HIV-1 entry inhibitors. Organic & Biomolecular Chemistry. 11: 7096-100. PMID 24065278 DOI: 10.1039/c3ob41395k  1
2013 Schmidt NW, Mishra A, Wang J, DeGrado WF, Wong GC. Influenza virus A M2 protein generates negative Gaussian membrane curvature necessary for budding and scission. Journal of the American Chemical Society. 135: 13710-9. PMID 23962302 DOI: 10.1021/ja400146z  1
2013 Koerber JT, Thomsen ND, Hannigan BT, Degrado WF, Wells JA. Nature-inspired design of motif-specific antibody scaffolds. Nature Biotechnology. 31: 916-21. PMID 23955275 DOI: 10.1038/nbt.2672  1
2013 Fry HC, Lehmann A, Sinks LE, Asselberghs I, Tronin A, Krishnan V, Blasie JK, Clays K, DeGrado WF, Saven JG, Therien MJ. Computational de novo design and characterization of a protein that selectively binds a highly hyperpolarizable abiological chromophore. Journal of the American Chemical Society. 135: 13914-26. PMID 23931685 DOI: 10.1021/ja4067404  1
2013 Williams JK, Tietze D, Wang J, Wu Y, DeGrado WF, Hong M. 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. 135: 9885-97. PMID 23758317 DOI: 10.1021/ja4041412  1
2013 Wang J, Ma C, Wang J, Jo H, Canturk B, Fiorin G, Pinto LH, Lamb RA, Klein ML, DeGrado WF. 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. 56: 2804-12. PMID 23437766 DOI: 10.1021/jm301538e  1
2013 Balgi AD, Wang J, Cheng DY, Ma C, Pfeifer TA, Shimizu Y, Anderson HJ, Pinto LH, Lamb RA, DeGrado WF, Roberge M. Inhibitors of the influenza A virus M2 proton channel discovered using a high-throughput yeast growth restoration assay. Plos One. 8: e55271. PMID 23383318 DOI: 10.1371/journal.pone.0055271  1
2013 Lemmin T, Soto CS, Clinthorne G, DeGrado WF, Dal Peraro M. Assembly of the transmembrane domain of E. coli PhoQ histidine kinase: implications for signal transduction from molecular simulations. Plos Computational Biology. 9: e1002878. PMID 23359663 DOI: 10.1371/journal.pcbi.1002878  1
2013 Mao L, Wang J, DeGrado WF, Inouye M. An assay suitable for high throughput screening of anti-influenza drugs. Plos One. 8: e54070. PMID 23326573 DOI: 10.1371/journal.pone.0054070  1
2013 Wang J, Wu Y, Ma C, Fiorin G, Wang J, Pinto LH, Lamb RA, Klein ML, Degrado WF. 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. 110: 1315-20. PMID 23302696 DOI: 10.1073/pnas.1216526110  1
2013 Hu X, Zhao J, DeGrado WF, Binns AN. 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. 110: 678-83. PMID 23267119 DOI: 10.1073/pnas.1215033110  1
2013 Thomaston JL, Nguyen PA, Brown EC, Upshur MA, Wang J, DeGrado WF, Howard KP. 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. 22: 65-73. PMID 23139077 DOI: 10.1002/pro.2186  1
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, et al. Platelet factor 4 activity against P. falciparum and its translation to nonpeptidic mimics as antimalarials. Cell Host & Microbe. 12: 815-23. PMID 23245326 DOI: 10.1016/j.chom.2012.10.017  1
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. Alteration of the oxygen-dependent reactivity of de novo Due Ferri proteins. Nature Chemistry. 4: 900-6. PMID 23089864 DOI: 10.1038/nchem.1454  1
2012 Hong M, DeGrado WF. Structural basis for proton conduction and inhibition by the influenza M2 protein. Protein Science : a Publication of the Protein Society. 21: 1620-33. PMID 23001990 DOI: 10.1002/pro.2158  1
2012 Jo H, Meinhardt N, Wu Y, Kulkarni S, Hu X, Low KE, Davies PL, DeGrado WF, Greenbaum DC. Development of α-helical calpain probes by mimicking a natural protein-protein interaction. Journal of the American Chemical Society. 134: 17704-13. PMID 22998171 DOI: 10.1021/ja307599z  1
2012 Schramm CA, Hannigan BT, Donald JE, Keasar C, Saven JG, Degrado WF, Samish I. Knowledge-based potential for positioning membrane-associated structures and assessing residue-specific energetic contributions. Structure (London, England : 1993). 20: 924-35. PMID 22579257 DOI: 10.1016/j.str.2012.03.016  1
2012 Culik RM, Jo H, DeGrado WF, Gai F. Using thioamides to site-specifically interrogate the dynamics of hydrogen bond formation in β-sheet folding. Journal of the American Chemical Society. 134: 8026-9. PMID 22540162 DOI: 10.1021/ja301681v  1
2012 Lanci CJ, MacDermaid CM, Kang SG, Acharya R, North B, Yang X, Qiu XJ, DeGrado WF, Saven JG. Computational design of a protein crystal. Proceedings of the National Academy of Sciences of the United States of America. 109: 7304-9. PMID 22538812 DOI: 10.1073/pnas.1112595109  1
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. Inhibition of integrin α2β1 ameliorates glomerular injury. Journal of the American Society of Nephrology : Jasn. 23: 1027-38. PMID 22440900 DOI: 10.1681/ASN.2011040367  1
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. 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. 86: 2930-41. PMID 22238313 DOI: 10.1128/JVI.06349-11  1
2012 Moore DT, Nygren P, Jo H, Boesze-Battaglia K, Bennett JS, DeGrado WF. 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. 109: 793-8. PMID 22210111 DOI: 10.1073/pnas.1117220108  1
2011 Kim YH, Donald JE, Grigoryan G, Leser GP, Fadeev AY, Lamb RA, 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. 108: 20992-7. PMID 22178759 DOI: 10.1073/pnas.1116034108  1
2011 Soto CS, Hannigan BT, DeGrado WF. A photon-free approach to transmembrane protein structure determination. Journal of Molecular Biology. 414: 596-610. PMID 22024595 DOI: 10.1016/j.jmb.2011.10.016  1
2011 Mensa B, Kim YH, Choi S, Scott R, Caputo GA, DeGrado WF. Antibacterial mechanism of action of arylamide foldamers. Antimicrobial Agents and Chemotherapy. 55: 5043-53. PMID 21844313 DOI: 10.1128/AAC.05009-11  1
2011 Wang J, Ma C, Wu Y, Lamb RA, Pinto LH, DeGrado WF. Exploring organosilane amines as potent inhibitors and structural probes of influenza a virus M2 proton channel. Journal of the American Chemical Society. 133: 13844-7. PMID 21819109 DOI: 10.1021/ja2050666  1
2011 Shandler SJ, Korendovych IV, Moore DT, Smith-Dupont KB, Streu CN, Litvinov RI, Billings PC, Gai F, Bennett JS, DeGrado WF. Computational design of a β-peptide that targets transmembrane helices. Journal of the American Chemical Society. 133: 12378-81. PMID 21780757 DOI: 10.1021/ja204215f  1
2011 Wang J, Ma C, Fiorin G, Carnevale V, Wang T, Hu F, Lamb RA, Pinto LH, Hong M, Klein ML, 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. 133: 12834-41. PMID 21744829 DOI: 10.1021/ja204969m  1
2011 Wang J, Ma C, Balannik V, Pinto LH, Lamb RA, Degrado WF. Exploring the Requirements for the Hydrophobic Scaffold and Polar Amine in inhibitors of M2 from Influenza A Virus. Acs Medicinal Chemistry Letters. 2: 307-312. PMID 21691418 DOI: 10.1021/ml100297w  1
2011 Korendovych IV, Shandler SJ, Montalvo GL, DeGrado WF. Environment- and sequence-dependence of helical type in membrane-spanning peptides composed of β3-amino acids. Organic Letters. 13: 3474-7. PMID 21651308 DOI: 10.1021/ol201218y  1
2011 Remorino A, Korendovych IV, Wu Y, DeGrado WF, Hochstrasser RM. Residue-specific vibrational echoes yield 3D structures of a transmembrane helix dimer. Science (New York, N.Y.). 332: 1206-9. PMID 21636774 DOI: 10.1126/science.1202997  1
2011 Grigoryan G, Kim YH, Acharya R, Axelrod K, Jain RM, Willis L, Drndic M, Kikkawa JM, DeGrado WF. Computational design of virus-like protein assemblies on carbon nanotube surfaces. Science (New York, N.Y.). 332: 1071-6. PMID 21617073 DOI: 10.1126/science.1198841  1
2011 Grigoryan G, Moore DT, 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. 80: 211-37. PMID 21548783 DOI: 10.1146/annurev-biochem-091008-152423  1
2011 Korendovych IV, Kulp DW, Wu Y, Cheng H, Roder H, DeGrado WF. Design of a switchable eliminase. Proceedings of the National Academy of Sciences of the United States of America. 108: 6823-7. PMID 21482808 DOI: 10.1073/pnas.1018191108  1
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. Exploring the size limit of templates for inhibitors of the M2 ion channel of influenza A virus. Journal of Medicinal Chemistry. 54: 2646-57. PMID 21466220 DOI: 10.1021/jm101334y  1
2011 Ghosh A, Qiu J, DeGrado WF, Hochstrasser RM. 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. 108: 6115-20. PMID 21444789 DOI: 10.1073/pnas.1103027108  1
2011 Rogers JM, Polishchuk AL, Guo L, Wang J, DeGrado WF, Gai F. 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. 27: 3815-21. PMID 21401044 DOI: 10.1021/la200480d  1
2011 Cady SD, Wang J, Wu Y, DeGrado WF, Hong M. 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. 133: 4274-84. PMID 21381693 DOI: 10.1021/ja102581n  1
2011 Chakraborty S, Kravitz JY, Thulstrup PW, Hemmingsen L, DeGrado WF, Pecoraro VL. Design of a three-helix bundle capable of binding heavy metals in a triscysteine environment. Angewandte Chemie (International Ed. in English). 50: 2049-53. PMID 21344549 DOI: 10.1002/anie.201006413  1
2011 Donald JE, Zhang Y, Fiorin G, Carnevale V, Slochower DR, Gai F, Klein ML, DeGrado WF. 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. 108: 3958-63. PMID 21321234 DOI: 10.1073/pnas.1019668108  1
2011 Donald JE, Kulp DW, DeGrado WF. Salt bridges: geometrically specific, designable interactions. Proteins. 79: 898-915. PMID 21287621 DOI: 10.1002/prot.22927  1
2011 Wang J, Qiu JX, Soto C, 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. 21: 68-80. PMID 21247754 DOI: 10.1016/j.sbi.2010.12.002  1
2011 Fadeev AY, DeGrado WF. Lipid membranes supported on optically transparent nanosilicas: synthesis and application in characterization of protein-membrane interactions. Journal of Colloid and Interface Science. 355: 265-8. PMID 21193202 DOI: 10.1016/j.jcis.2010.11.064  1
2011 Grigoryan G, Degrado WF. Probing designability via a generalized model of helical bundle geometry. Journal of Molecular Biology. 405: 1079-100. PMID 20932976 DOI: 10.1016/j.jmb.2010.08.058  1
2010 Carnevale V, Fiorin G, Levine BG, Degrado WF, Klein ML. Multiple Proton Confinement in the M2 Channel from the Influenza A Virus. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 114: 20856-20863. PMID 21359105 DOI: 10.1021/jp107431g  1
2010 Metcalf DG, Moore DT, Wu Y, Kielec JM, Molnar K, Valentine KG, Wand AJ, Bennett JS, 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. 107: 22481-6. PMID 21156831 DOI: 10.1073/pnas.1015545107  1
2010 Jo H, Culik RM, Korendovych IV, Degrado WF, Gai F. Selective incorporation of nitrile-based infrared probes into proteins via cysteine alkylation. Biochemistry. 49: 10354-6. PMID 21077670 DOI: 10.1021/bi101711a  1
2010 Polishchuk AL, Lear JD, Ma C, Lamb RA, Pinto LH, Degrado WF. A pH-dependent conformational ensemble mediates proton transport through the influenza A/M2 protein. Biochemistry. 49: 10061-71. PMID 20968306 DOI: 10.1021/bi101229m  1
2010 Fiorin G, Carnevale V, DeGrado WF. Structural biology. The flu's proton escort. Science (New York, N.Y.). 330: 456-8. PMID 20966238 DOI: 10.1126/science.1197748  1
2010 Korendovych IV, Senes A, Kim YH, Lear JD, Fry HC, Therien MJ, Blasie JK, Walker FA, Degrado WF. De novo design and molecular assembly of a transmembrane diporphyrin-binding protein complex. Journal of the American Chemical Society. 132: 15516-8. PMID 20945900 DOI: 10.1021/ja107487b  1
2010 Korendovych IV, Kim YH, Ryan AH, Lear JD, Degrado WF, Shandler SJ. Computational design of a self-assembling β-peptide oligomer. Organic Letters. 12: 5142-5. PMID 20945888 DOI: 10.1021/ol102092r  1
2010 Donald JE, Zhu H, Litvinov RI, DeGrado WF, Bennett JS. Identification of interacting hot spots in the beta3 integrin stalk using comprehensive interface design. The Journal of Biological Chemistry. 285: 38658-65. PMID 20929856 DOI: 10.1074/jbc.M110.170670  1
2010 Lau WL, Degrado WF, Roder H. 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. 99: 2299-308. PMID 20923665 DOI: 10.1016/j.bpj.2010.07.059  1
2010 Ivankin A, Livne L, Mor A, Caputo GA, Degrado WF, Meron M, Lin B, Gidalevitz D. Role of the conformational rigidity in the design of biomimetic antimicrobial compounds. Angewandte Chemie (International Ed. in English). 49: 8462-5. PMID 20872385 DOI: 10.1002/anie.201003104  1
2010 Leiding T, Wang J, Martinsson J, DeGrado WF, Arsköld SP. 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. 107: 15409-14. PMID 20713739 DOI: 10.1073/pnas.1009997107  1
2010 Acharya R, Carnevale V, Fiorin G, Levine BG, Polishchuk AL, Balannik V, Samish I, Lamb RA, Pinto LH, DeGrado WF, Klein ML. 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. 107: 15075-80. PMID 20689043 DOI: 10.1073/pnas.1007071107  1
2010 Zhu H, Metcalf DG, Streu CN, Billings PC, Degrado WF, Bennett JS. Specificity for homooligomer versus heterooligomer formation in integrin transmembrane helices. Journal of Molecular Biology. 401: 882-91. PMID 20615419 DOI: 10.1016/j.jmb.2010.06.062  1
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. Discovery of potent small-molecule inhibitors of multidrug-resistant Plasmodium falciparum using a novel miniaturized high-throughput luciferase-based assay. Antimicrobial Agents and Chemotherapy. 54: 3597-604. PMID 20547797 DOI: 10.1128/AAC.00431-10  1
2010 Su Y, DeGrado WF, Hong M. Orientation, dynamics, and lipid interaction of an antimicrobial arylamide investigated by 19F and 31P solid-state NMR spectroscopy. Journal of the American Chemical Society. 132: 9197-205. PMID 20536141 DOI: 10.1021/ja103658h  1
2010 Shandler SJ, Shapovalov MV, Dunbrack RL, DeGrado WF. Development of a rotamer library for use in beta-peptide foldamer computational design. Journal of the American Chemical Society. 132: 7312-20. PMID 20446685 DOI: 10.1021/ja906700x  1
2010 Goldberg SD, Clinthorne GD, Goulian M, 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. 107: 8141-6. PMID 20404199 DOI: 10.1073/pnas.1003166107  1
2010 Montalvo G, Waegele MM, Shandler S, Gai F, DeGrado WF. Infrared signature and folding dynamics of a helical beta-peptide. Journal of the American Chemical Society. 132: 5616-8. PMID 20373737 DOI: 10.1021/ja100459a  1
2010 Fry HC, Lehmann A, Saven JG, DeGrado WF, Therien MJ. 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. 132: 3997-4005. PMID 20192195 DOI: 10.1021/ja907407m  1
2010 Cady SD, Schmidt-Rohr K, Wang J, Soto CS, Degrado WF, Hong M. Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers. Nature. 463: 689-92. PMID 20130653 DOI: 10.1038/nature08722  1
2010 Berger BW, Kulp DW, Span LM, DeGrado JL, Billings PC, Senes A, Bennett JS, DeGrado WF. Consensus motif for integrin transmembrane helix association. Proceedings of the National Academy of Sciences of the United States of America. 107: 703-8. PMID 20080739 DOI: 10.1073/pnas.0910873107  1
2010 Balannik V, Carnevale V, Fiorin G, Levine BG, Lamb RA, Klein ML, Degrado WF, Pinto LH. Functional studies and modeling of pore-lining residue mutants of the influenza a virus M2 ion channel. Biochemistry. 49: 696-708. PMID 20028125 DOI: 10.1021/bi901799k  1
2010 Balannik V, Obrdlik P, Inayat S, Steensen C, Wang J, Rausch JM, DeGrado WF, Kelety B, Pinto LH. Solid-supported membrane technology for the investigation of the influenza A virus M2 channel activity. PflüGers Archiv : European Journal of Physiology. 459: 593-605. PMID 19946785 DOI: 10.1007/s00424-009-0760-1  1
2010 Tew GN, Scott RW, Klein ML, Degrado WF. De novo design of antimicrobial polymers, foldamers, and small molecules: from discovery to practical applications. Accounts of Chemical Research. 43: 30-9. PMID 19813703 DOI: 10.1021/ar900036b  1
2009 Faiella M, Andreozzi C, de Rosales RT, Pavone V, Maglio O, Nastri F, DeGrado WF, Lombardi A. An artificial di-iron oxo-protein with phenol oxidase activity. Nature Chemical Biology. 5: 882-4. PMID 19915535 DOI: 10.1038/nchembio.257  1
2009 Balannik V, Wang J, Ohigashi Y, Jing X, Magavern E, Lamb RA, Degrado WF, Pinto LH. Design and pharmacological characterization of inhibitors of amantadine-resistant mutants of the M2 ion channel of influenza A virus. Biochemistry. 48: 11872-82. PMID 19905033 DOI: 10.1021/bi9014488  1
2009 Zhang Y, Kulp DW, Lear JD, DeGrado WF. Experimental and computational evaluation of forces directing the association of transmembrane helices. Journal of the American Chemical Society. 131: 11341-3. PMID 19722646 DOI: 10.1021/ja904625b  1
2009 San Antonio JD, Zoeller JJ, Habursky K, Turner K, Pimtong W, Burrows M, Choi S, Basra S, Bennett JS, DeGrado WF, Iozzo RV. A key role for the integrin alpha2beta1 in experimental and developmental angiogenesis. The American Journal of Pathology. 175: 1338-47. PMID 19700757 DOI: 10.2353/ajpath.2009.090234  1
2009 He F, Nair GR, Soto CS, Chang Y, Hsu L, Ronzone E, DeGrado WF, Binns AN. Molecular basis of ChvE function in sugar binding, sugar utilization, and virulence in Agrobacterium tumefaciens. Journal of Bacteriology. 191: 5802-13. PMID 19633083 DOI: 10.1128/JB.00451-09  1
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. 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. 106: 12283-8. PMID 19590009 DOI: 10.1073/pnas.0905726106  1
2009 Goldberg SD, Derr P, DeGrado WF, Goulian M. Engineered single- and multi-cell chemotaxis pathways in E. coli. Molecular Systems Biology. 5: 283. PMID 19536206 DOI: 10.1038/msb.2009.41  1
2009 Metcalf DG, Kulp DW, Bennett JS, DeGrado WF. Multiple approaches converge on the structure of the integrin alphaIIb/beta3 transmembrane heterodimer. Journal of Molecular Biology. 392: 1087-101. PMID 19527732 DOI: 10.1016/j.jmb.2009.06.032  1
2009 Wang J, Cady SD, Balannik V, Pinto LH, DeGrado WF, Hong M. 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. 131: 8066-76. PMID 19469531 DOI: 10.1021/ja900063s  1
2009 Choi S, Isaacs A, Clements D, Liu D, Kim H, Scott RW, Winkler JD, 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. 106: 6968-73. PMID 19359494 DOI: 10.1073/pnas.0811818106  1
2009 Tang J, Yin H, Qiu J, Tucker MJ, DeGrado WF, Gai F. Using two fluorescent probes to dissect the binding, insertion, and dimerization kinetics of a model membrane peptide. Journal of the American Chemical Society. 131: 3816-7. PMID 19256494 DOI: 10.1021/ja809007f  1
2009 Liu F, Dumont C, Zhu Y, DeGrado WF, Gai F, Gruebele M. A one-dimensional free energy surface does not account for two-probe folding kinetics of protein alpha(3)D. The Journal of Chemical Physics. 130: 061101. PMID 19222256 DOI: 10.1063/1.3077008  1
2009 Signarvic RS, Degrado WF. Metal-binding dependent disruption of membranes by designed helices. Journal of the American Chemical Society. 131: 3377-84. PMID 19209932 DOI: 10.1021/ja809580b  1
2009 Khurana E, Dal Peraro M, DeVane R, Vemparala S, DeGrado WF, Klein ML. 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. 106: 1069-74. PMID 19144924 DOI: 10.1073/pnas.0811720106  1
2009 Miller MW, Basra S, Kulp DW, Billings PC, Choi S, Beavers MP, McCarty OJ, Zou Z, Kahn ML, Bennett JS, DeGrado WF. 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. 106: 719-24. PMID 19141632 DOI: 10.1073/pnas.0811622106  1
2009 Bissonnette ML, Donald JE, DeGrado WF, Jardetzky TS, Lamb RA. Functional analysis of the transmembrane domain in paramyxovirus F protein-mediated membrane fusion. Journal of Molecular Biology. 386: 14-36. PMID 19121325 DOI: 10.1016/j.jmb.2008.12.029  1
2009 Bell CB, Calhoun JR, Bobyr E, Wei PP, Hedman B, Hodgson KO, Degrado WF, Solomon EI. 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. 48: 59-73. PMID 19090676 DOI: 10.1021/bi8016087  1
2009 Kuroda K, Caputo GA, DeGrado WF. The role of hydrophobicity in the antimicrobial and hemolytic activities of polymethacrylate derivatives. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 1123-33. PMID 19072946 DOI: 10.1002/chem.200801523  1
2009 Basani RB, Zhu H, Thornton MA, Soto CS, Degrado WF, Kowalska MA, Bennett JS, Poncz M. 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. 113: 902-10. PMID 18987357 DOI: 10.1182/blood-2008-09-177337  1
2008 Weeks CL, Polishchuk A, Getahun Z, Degrado WF, Spiro TG. 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. 39: 1606-1613. PMID 20648227 DOI: 10.1002/jrs.2067  1
2008 Scott RW, DeGrado WF, Tew GN. De novo designed synthetic mimics of antimicrobial peptides. Current Opinion in Biotechnology. 19: 620-7. PMID 18996193 DOI: 10.1016/j.copbio.2008.10.013  1
2008 Nguyen PA, Soto CS, Polishchuk A, Caputo GA, Tatko CD, Ma C, Ohigashi Y, Pinto LH, DeGrado WF, Howard KP. pH-induced conformational change of the influenza M2 protein C-terminal domain. Biochemistry. 47: 9934-6. PMID 18754675 DOI: 10.1021/bi801315m  1
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. Using alpha-helical coiled-coils to design nanostructured metalloporphyrin arrays. Journal of the American Chemical Society. 130: 11921-7. PMID 18710226 DOI: 10.1021/ja800697g  1
2008 Caputo GA, Litvinov RI, Li W, Bennett JS, Degrado WF, Yin H. Computationally designed peptide inhibitors of protein-protein interactions in membranes. Biochemistry. 47: 8600-6. PMID 18642886 DOI: 10.1021/bi800687h  1
2008 Shu JY, Tan C, DeGrado WF, Xu T. New design of helix bundle peptide-polymer conjugates. Biomacromolecules. 9: 2111-7. PMID 18627200 DOI: 10.1021/bm800113g  1
2008 Stouffer AL, Ma C, Cristian L, Ohigashi Y, Lamb RA, Lear JD, Pinto LH, 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). 16: 1067-76. PMID 18611380 DOI: 10.1016/j.str.2008.04.011  1
2008 Moore DT, Berger BW, DeGrado WF. Protein-protein interactions in the membrane: sequence, structural, and biological motifs. Structure (London, England : 1993). 16: 991-1001. PMID 18611372 DOI: 10.1016/j.str.2008.05.007  1
2008 Calhoun JR, Bell CB, Smith TJ, Thamann TJ, DeGrado WF, Solomon EI. 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. 130: 9188-9. PMID 18572936 DOI: 10.1021/ja801657y  1
2008 Grigoryan G, Degrado WF. Modest membrane hydrogen bonds deliver rich results. Nature Chemical Biology. 4: 393-4. PMID 18560430 DOI: 10.1038/nchembio0708-393  1
2008 Goldberg SD, Soto CS, Waldburger CD, Degrado WF. Determination of the physiological dimer interface of the PhoQ sensor domain. Journal of Molecular Biology. 379: 656-65. PMID 18468622 DOI: 10.1016/j.jmb.2008.04.023  1
2008 Ma C, Soto CS, Ohigashi Y, Taylor A, Bournas V, Glawe B, Udo MK, Degrado WF, Lamb RA, Pinto LH. Identification of the pore-lining residues of the BM2 ion channel protein of influenza B virus. The Journal of Biological Chemistry. 283: 15921-31. PMID 18408016 DOI: 10.1074/jbc.M710302200  1
2008 Calhoun JR, Liu W, Spiegel K, Dal Peraro M, Klein ML, Valentine KG, Wand AJ, DeGrado WF. Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement. Structure (London, England : 1993). 16: 210-5. PMID 18275812 DOI: 10.1016/j.str.2007.11.011  1
2008 Stouffer AL, Acharya R, Salom D, Levine AS, Di Costanzo L, Soto CS, Tereshko V, Nanda V, Stayrook S, DeGrado WF. Structural basis for the function and inhibition of an influenza virus proton channel. Nature. 451: 596-9. PMID 18235504 DOI: 10.1038/nature06528  1
2008 Stouffer AL, Acharya R, Salom D, Levine AS, Di Costanzo L, Soto CS, Tereshko V, Nanda V, Stayrook S, DeGrado WF. Structural basis for the function and inhibition of an influenza virus proton channel (Nature (2008) 451, (596-599)) Nature. 452: 380. DOI: 10.1038/nature06845  1
2007 Tang J, Signarvic RS, DeGrado WF, Gai F. Role of helix nucleation in the kinetics of binding of mastoparan X to phospholipid bilayers. Biochemistry. 46: 13856-63. PMID 17994771 DOI: 10.1021/bi7018404  1
2007 Choi S, Vilaire G, Marcinkiewicz C, Winkler JD, Bennett JS, DeGrado WF. Small molecule inhibitors of integrin alpha2beta1. Journal of Medicinal Chemistry. 50: 5457-62. PMID 17915848 DOI: 10.1021/jm070252b  1
2007 Mukherjee S, Chowdhury P, DeGrado WF, Gai F. Site-specific hydration status of an amphipathic peptide in AOT reverse micelles. Langmuir : the Acs Journal of Surfaces and Colloids. 23: 11174-9. PMID 17910485 DOI: 10.1021/la701686g  1
2007 Balakrishnan G, Hu Y, Bender GM, Getahun Z, DeGrado WF, Spiro TG. Enthalpic and entropic stages in alpha-helical peptide unfolding, from laser T-jump/UV Raman spectroscopy. Journal of the American Chemical Society. 129: 12801-8. PMID 17910449 DOI: 10.1021/ja073366l  1
2007 Bender GM, Lehmann A, Zou H, Cheng H, Fry HC, Engel D, Therien MJ, Blasie JK, Roder H, Saven JG, DeGrado WF. De novo design of a single-chain diphenylporphyrin metalloprotein. Journal of the American Chemical Society. 129: 10732-40. PMID 17691729 DOI: 10.1021/ja071199j  1
2007 Finikova OS, Troxler T, Senes A, DeGrado WF, Hochstrasser RM, Vinogradov SA. Energy and electron transfer in enhanced two-photon-absorbing systems with triplet cores. The Journal of Physical Chemistry. A. 111: 6977-90. PMID 17608457 DOI: 10.1021/jp071586f  1
2007 Wang PC, Vilaire G, DeGrado WF, Bennett JS. Interactions of ADP-stimulated human platelets with PEGylated polystyrene substrates prepared by surface amidation. Colloids and Surfaces. B, Biointerfaces. 58: 225-30. PMID 17499487 DOI: 10.1016/j.colsurfb.2007.03.012  1
2007 White TC, Berny MA, Robinson DK, Yin H, DeGrado WF, Hanson SR, McCarty OJ. The leech product saratin is a potent inhibitor of platelet integrin alpha2beta1 and von Willebrand factor binding to collagen. The Febs Journal. 274: 1481-91. PMID 17489103 DOI: 10.1111/j.1742-4658.2007.05689.x  1
2007 Goodman CM, Choi S, Shandler S, DeGrado WF. Foldamers as versatile frameworks for the design and evolution of function. Nature Chemical Biology. 3: 252-62. PMID 17438550 DOI: 10.1038/nchembio876  1
2007 Cady SD, Goodman C, Tatko CD, DeGrado WF, Hong M. 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. 129: 5719-29. PMID 17417850 DOI: 10.1021/ja070305e  1
2007 Yin H, Slusky JS, Berger BW, Walters RS, Vilaire G, Litvinov RI, Lear JD, Caputo GA, Bennett JS, DeGrado WF. Computational design of peptides that target transmembrane helices. Science (New York, N.Y.). 315: 1817-22. PMID 17395823 DOI: 10.1126/science.1136782  1
2007 Metcalf DG, Law PB, DeGrado WF. Mutagenesis data in the automated prediction of transmembrane helix dimers. Proteins. 67: 375-84. PMID 17311347 DOI: 10.1002/prot.21265  1
2007 Dal Peraro M, Spiegel K, Lamoureux G, De Vivo M, DeGrado WF, Klein ML. Modeling the charge distribution at metal sites in proteins for molecular dynamics simulations. Journal of Structural Biology. 157: 444-53. PMID 17188512 DOI: 10.1016/j.jsb.2006.10.019  1
2007 Senes A, Chadi DC, Law PB, Walters RF, Nanda V, Degrado WF. 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. 366: 436-48. PMID 17174324 DOI: 10.1016/j.jmb.2006.09.020  1
2007 Lee MH, Adams CS, Boettiger D, Degrado WF, Shapiro IM, Composto RJ, Ducheyne P. 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. 81: 150-60. PMID 17111408 DOI: 10.1002/jbm.a.31065  1
2007 Maglio O, Nastri F, Martin de Rosales RT, Faiella M, Pavone V, DeGrado WF, Lombardi A. Diiron-containing metalloproteins: Developing functional models Comptes Rendus Chimie. 10: 703-720. DOI: 10.1016/j.crci.2007.03.010  1
2006 Lopez CF, Nielsen SO, Srinivas G, Degrado WF, Klein ML. Probing Membrane Insertion Activity of Antimicrobial Polymers via Coarse-grain Molecular Dynamics. Journal of Chemical Theory and Computation. 2: 649-655. PMID 18985168 DOI: 10.1021/ct050298p  1
2006 Fang C, Senes A, Cristian L, DeGrado WF, Hochstrasser RM. 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. 103: 16740-5. PMID 17075037 DOI: 10.1073/pnas.0608243103  1
2006 Yin H, Litvinov RI, Vilaire G, Zhu H, Li W, Caputo GA, Moore DT, Lear JD, Weisel JW, Degrado WF, Bennett JS. Activation of platelet alphaIIbbeta3 by an exogenous peptide corresponding to the transmembrane domain of alphaIIb. The Journal of Biological Chemistry. 281: 36732-41. PMID 17032655 DOI: 10.1074/jbc.M605877200  1
2006 Walters RF, DeGrado WF. Helix-packing motifs in membrane proteins. Proceedings of the National Academy of Sciences of the United States of America. 103: 13658-63. PMID 16954199 DOI: 10.1073/pnas.0605878103  1
2006 Bunagan MR, Cristian L, DeGrado WF, Gai F. Truncation of a cross-linked GCN4-p1 coiled coil leads to ultrafast folding. Biochemistry. 45: 10981-6. PMID 16953584 DOI: 10.1021/bi0606142  1
2006 Wade H, Stayrook SE, Degrado WF. The structure of a designed diiron(III) protein: implications for cofactor stabilization and catalysis. Angewandte Chemie (International Ed. in English). 45: 4951-4. PMID 16819737 DOI: 10.1002/anie.200600042  1
2006 North B, Cristian L, Fu Stowell X, Lear JD, Saven JG, Degrado WF. Characterization of a membrane protein folding motif, the Ser zipper, using designed peptides. Journal of Molecular Biology. 359: 930-9. PMID 16697010 DOI: 10.1016/j.jmb.2006.04.001  1
2006 Yin H, Gerlach LO, Miller MW, Moore DT, Liu D, Vilaire G, Bennett JS, DeGrado WF. Arylamide derivatives as allosteric inhibitors of the integrin alpha2beta1/type I collagen interaction. Bioorganic & Medicinal Chemistry Letters. 16: 3380-2. PMID 16678410 DOI: 10.1016/j.bmcl.2006.04.037  1
2006 Litvinov RI, Vilaire G, Li W, DeGrado WF, Weisel JW, Bennett JS. Activation of individual alphaIIbbeta3 integrin molecules by disruption of transmembrane domain interactions in the absence of clustering. Biochemistry. 45: 4957-64. PMID 16605263 DOI: 10.1021/bi0526581  1
2006 Tatko CD, Nanda V, Lear JD, Degrado WF. Polar networks control oligomeric assembly in membranes. Journal of the American Chemical Society. 128: 4170-1. PMID 16568959 DOI: 10.1021/ja055561a  1
2006 Pophristic V, Vemparala S, Ivanov I, Liu Z, Klein ML, 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. 110: 3517-26. PMID 16494407 DOI: 10.1021/jp054306+  1
2006 Ivanov I, Vemparala S, Pophristic V, Kuroda K, DeGrado WF, McCammon JA, Klein ML. Characterization of nonbiological antimicrobial polymers in aqueous solution and at water-lipid interfaces from all-atom molecular dynamics. Journal of the American Chemical Society. 128: 1778-9. PMID 16464062 DOI: 10.1021/ja0564665  1
2006 Nanda V, DeGrado WF. Computational design of heterochiral peptides against a helical target. Journal of the American Chemical Society. 128: 809-16. PMID 16417370 DOI: 10.1021/ja054452t  1
2006 Yin H, Frederick KK, Liu D, Wand AJ, Degrado WF. Arylamide derivatives as peptidomimetic inhibitors of calmodulin. Organic Letters. 8: 223-5. PMID 16408880 DOI: 10.1021/ol052478j  1
2006 Stouffer AL, DeGrado WF, Lear JD. Analytical ultracentrifugation studies of the influenza M2 homotetramerization equilibrium in detergent solutions Progress in Colloid and Polymer Science. 131: 108-115. DOI: 10.1007/2882_010  1
2005 Geremia S, Di Costanzo L, Randaccio L, Engel DE, Lombardi A, Nastri F, 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. 127: 17266-76. PMID 16332076 DOI: 10.1021/ja054199x  1
2005 Wei PP, Skulan AJ, Wade H, DeGrado WF, Solomon EI. 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. 127: 16098-106. PMID 16287296 DOI: 10.1021/ja053661a  1
2005 Wang T, Lau WL, DeGrado WF, Gai F. T-jump infrared study of the folding mechanism of coiled-coil GCN4-p1. Biophysical Journal. 89: 4180-7. PMID 16150962 DOI: 10.1529/biophysj.105.068809  1
2005 Summa CM, Levitt M, Degrado WF. An atomic environment potential for use in protein structure prediction. Journal of Molecular Biology. 352: 986-1001. PMID 16126228 DOI: 10.1016/j.jmb.2005.07.054  1
2005 Engel DE, DeGrado WF. Alpha-alpha linking motifs and interhelical orientations. Proteins. 61: 325-37. PMID 16104016 DOI: 10.1002/prot.20522  1
2005 Choi S, Clements DJ, Pophristic V, Ivanov I, Vemparala S, Bennett JS, Klein ML, Winkler JD, DeGrado WF. The design and evaluation of heparin-binding foldamers. Angewandte Chemie (International Ed. in English). 44: 6685-9. PMID 16094685 DOI: 10.1002/anie.200501279  1
2005 Maglio O, Nastri F, Calhoun JR, Lahr S, Wade H, Pavone V, DeGrado WF, Lombardi A. 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. 10: 539-49. PMID 16091937 DOI: 10.1007/s00775-005-0002-8  1
2005 Kovalenko OV, Metcalf DG, DeGrado WF, Hemler ME. Structural organization and interactions of transmembrane domains in tetraspanin proteins. Bmc Structural Biology. 5: 11. PMID 15985154 DOI: 10.1186/1472-6807-5-11  1
2005 Cristian L, Nanda V, Lear JD, DeGrado WF. Synergistic interactions between aqueous and membrane domains of a designed protein determine its fold and stability. Journal of Molecular Biology. 348: 1225-33. PMID 15854657 DOI: 10.1016/j.jmb.2005.03.053  1
2005 Nanda V, Rosenblatt MM, Osyczka A, Kono H, Getahun Z, Dutton PL, Saven JG, Degrado WF. De novo design of a redox-active minimal rubredoxin mimic. Journal of the American Chemical Society. 127: 5804-5. PMID 15839675 DOI: 10.1021/ja050553f  1
2005 Slovic AM, Stayrook SE, North B, Degrado WF. 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. 348: 777-87. PMID 15826670 DOI: 10.1016/j.jmb.2005.02.040  1
2005 Adamian L, Nanda V, DeGrado WF, Liang J. Empirical lipid propensities of amino acid residues in multispan alpha helical membrane proteins. Proteins. 59: 496-509. PMID 15789404 DOI: 10.1002/prot.20456  1
2005 Slovic AM, Lear JD, 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. 65: 312-21. PMID 15787961 DOI: 10.1111/j.1399-3011.2005.00244.x  1
2005 Kuroda K, DeGrado WF. Amphiphilic polymethacrylate derivatives as antimicrobial agents. Journal of the American Chemical Society. 127: 4128-9. PMID 15783168 DOI: 10.1021/ja044205+  1
2005 Nanda V, DeGrado WF. Automated use of mutagenesis data in structure prediction. Proteins. 59: 454-66. PMID 15768404 DOI: 10.1002/prot.20382  1
2005 Willcox PJ, Reinhart-King CA, Lahr SJ, DeGrado WF, Hammer DA. Dynamic heterodimer-functionalized surfaces for endothelial cell adhesion. Biomaterials. 26: 4757-66. PMID 15763255 DOI: 10.1016/j.biomaterials.2004.11.060  1
2005 Duong-Ly KC, Nanda V, Degrado WF, Howard KP. The conformation of the pore region of the M2 proton channel depends on lipid bilayer environment. Protein Science : a Publication of the Protein Society. 14: 856-61. PMID 15741338 DOI: 10.1110/ps.041185805  1
2005 Howard KP, Liu W, Crocker E, Nanda V, Lear J, Degrado WF, Smith SO. Rotational orientation of monomers within a designed homo-oligomer transmembrane helical bundle. Protein Science : a Publication of the Protein Society. 14: 1019-24. PMID 15741331 DOI: 10.1110/ps.041110605  1
2005 Stouffer AL, Nanda V, Lear JD, DeGrado WF. Sequence determinants of a transmembrane proton channel: an inverse relationship between stability and function. Journal of Molecular Biology. 347: 169-79. PMID 15733926 DOI: 10.1016/j.jmb.2005.01.023  1
2005 Lahr SJ, Engel DE, Stayrook SE, Maglio O, North B, Geremia S, Lombardi A, DeGrado WF. Analysis and design of turns in alpha-helical hairpins. Journal of Molecular Biology. 346: 1441-54. PMID 15713492 DOI: 10.1016/j.jmb.2004.12.016  1
2005 Calhoun JR, Nastri F, Maglio O, Pavone V, Lombardi A, DeGrado WF. Artificial diiron proteins: from structure to function. Biopolymers. 80: 264-78. PMID 15700297 DOI: 10.1002/bip.20230  1
2005 Cochran FV, Wu SP, Wang W, Nanda V, Saven JG, Therien MJ, DeGrado WF. Computational de novo design and characterization of a four-helix bundle protein that selectively binds a nonbiological cofactor. Journal of the American Chemical Society. 127: 1346-7. PMID 15686346 DOI: 10.1021/ja044129a  1
2005 Li W, Metcalf DG, Gorelik R, Li R, Mitra N, Nanda V, Law PB, Lear JD, Degrado WF, Bennett JS. A push-pull mechanism for regulating integrin function. Proceedings of the National Academy of Sciences of the United States of America. 102: 1424-9. PMID 15671157 DOI: 10.1073/pnas.0409334102  1
2004 Wang T, Zhu Y, Getahun Z, Du D, Huang CY, Degrado WF, Gai F. Length Dependent Helix-Coil Transition Kinetics of Nine Alanine-Based Peptides. The Journal of Physical Chemistry. B. 108. PMID 24307864 DOI: 10.1021/jp037272j  1
2004 Ghirlanda G, Hilcove SA, Pidikiti R, Johansson JS, Lear JD, Degrado WF, Eckenhoff RG. Volatile anesthetic modulation of oligomerization equilibria in a hexameric model peptide. Febs Letters. 578: 140-4. PMID 15581631 DOI: 10.1016/j.febslet.2004.10.087  1
2004 Nanda V, Degrado WF. Simulated evolution of emergent chiral structures in polyalanine. Journal of the American Chemical Society. 126: 14459-67. PMID 15521766 DOI: 10.1021/ja0461825  1
2004 Doerksen RJ, Chen B, Liu D, Tew GN, Degrado WF, Klein ML. Controlling the conformation of arylamides: computational studies of intramolecular hydrogen bonds between amides and ethers or thioethers. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 5008-16. PMID 15372664 DOI: 10.1002/chem.200400176  1
2004 Lear JD, Stouffer AL, Gratkowski H, Nanda V, Degrado WF. Association of a model transmembrane peptide containing gly in a heptad sequence motif. Biophysical Journal. 87: 3421-9. PMID 15315956 DOI: 10.1529/biophysj.103.032839  1
2004 Senes A, Engel DE, DeGrado WF. Folding of helical membrane proteins: the role of polar, GxxxG-like and proline motifs. Current Opinion in Structural Biology. 14: 465-79. PMID 15313242 DOI: 10.1016/j.sbi.2004.07.007  1
2004 Ghirlanda G, Osyczka A, Liu W, Antolovich M, Smith KM, Dutton PL, Wand AJ, 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. 126: 8141-7. PMID 15225055 DOI: 10.1021/ja039935g  1
2004 Tucker MJ, Getahun Z, Nanda V, DeGrado WF, Gai F. A new method for determining the local environment and orientation of individual side chains of membrane-binding peptides. Journal of the American Chemical Society. 126: 5078-9. PMID 15099085 DOI: 10.1021/ja032015d  1
2004 Li R, Gorelik R, Nanda V, Law PB, Lear JD, DeGrado WF, Bennett JS. Dimerization of the transmembrane domain of Integrin alphaIIb subunit in cell membranes. The Journal of Biological Chemistry. 279: 26666-73. PMID 15067009 DOI: 10.1074/jbc.M314168200  1
2004 Engel DE, DeGrado WF. Amino acid propensities are position-dependent throughout the length of alpha-helices. Journal of Molecular Biology. 337: 1195-205. PMID 15046987 DOI: 10.1016/j.jmb.2004.02.004  1
2004 Liu D, Choi S, Chen B, Doerksen RJ, Clements DJ, Winkler JD, Klein ML, DeGrado WF. Nontoxic membrane-active antimicrobial arylamide oligomers. Angewandte Chemie (International Ed. in English). 43: 1158-62. PMID 14983462 DOI: 10.1002/anie.200352791  1
2004 Slovic AM, Kono H, Lear JD, Saven JG, 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. 101: 1828-33. PMID 14766985 DOI: 10.1073/pnas.0306417101  1
2004 Lau WL, Ege DS, Lear JD, Hammer DA, DeGrado WF. Oligomerization of fusogenic peptides promotes membrane fusion by enhancing membrane destabilization. Biophysical Journal. 86: 272-84. PMID 14695269 DOI: 10.1016/S0006-3495(04)74103-X  1
2003 Zhu Y, Alonso DO, Maki K, Huang CY, Lahr SJ, Daggett V, Roder H, DeGrado WF, Gai F. 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. 100: 15486-91. PMID 14671331 DOI: 10.1073/pnas.2136623100  1
2003 Cristian L, Lear JD, DeGrado WF. 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. 100: 14772-7. PMID 14657351 DOI: 10.1073/pnas.2536751100  0.88
2003 Calhoun JR, Kono H, Lahr S, Wang W, DeGrado WF, Saven JG. Computational design and characterization of a monomeric helical dinuclear metalloprotein. Journal of Molecular Biology. 334: 1101-15. PMID 14643669 DOI: 10.1016/j.jmb.2003.10.004  1
2003 Signarvic RS, DeGrado WF. De novo design of a molecular switch: phosphorylation-dependent association of designed peptides. Journal of Molecular Biology. 334: 1-12. PMID 14596795 DOI: 10.1016/j.jmb.2003.09.041  1
2003 Cristian L, Lear JD, DeGrado WF. Determination of membrane protein stability via thermodynamic coupling of folding to thiol-disulfide interchange. Protein Science : a Publication of the Protein Society. 12: 1732-40. PMID 12876322 DOI: 10.1110/ps.0378603  0.88
2003 Lear JD, Gratkowski H, Adamian L, Liang J, DeGrado WF. Position-dependence of stabilizing polar interactions of asparagine in transmembrane helical bundles. Biochemistry. 42: 6400-7. PMID 12767221 DOI: 10.1021/bi020573j  0.88
2003 Li R, Mitra N, Gratkowski H, Vilaire G, Litvinov R, Nagasami C, Weisel JW, Lear JD, DeGrado WF, Bennett JS. Activation of integrin alphaIIbbeta3 by modulation of transmembrane helix associations. Science (New York, N.Y.). 300: 795-8. PMID 12730600 DOI: 10.1126/science.1079441  1
2003 Maglio O, Nastri F, Pavone V, Lombardi A, DeGrado WF. Preorganization of molecular binding sites in designed diiron proteins. Proceedings of the National Academy of Sciences of the United States of America. 100: 3772-7. PMID 12655072 DOI: 10.1073/pnas.0730771100  0.44
2003 DeGrado WF, Gratkowski H, Lear JD. 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. 12: 647-65. PMID 12649422 DOI: 10.1110/ps.0236503  0.88
2003 Li R, Hoess RH, Bennett JS, DeGrado WF. Use of phage display to probe the evolution of binding specificity and affinity in integrins. Protein Engineering. 16: 65-72. PMID 12646694  0.6
2003 Walsh ST, Cheng RP, Wright WW, Alonso DO, Daggett V, Vanderkooi JM, 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. 12: 520-31. PMID 12592022 DOI: 10.1110/ps.0223003  1
2003 DeGrado WF, Di Costanzo L, Geremia S, Lombardi A, Pavone V, Randaccio L. Sliding helix and change of coordination geometry in a model di-MnII protein. Angewandte Chemie (International Ed. in English). 42: 417-20. PMID 12569505 DOI: 10.1002/anie.200390127  0.44
2003 Slovic AM, Summa CM, Lear JD, DeGrado WF. Computational design of a water-soluble analog of phospholamban. Protein Science : a Publication of the Protein Society. 12: 337-48. PMID 12538897 DOI: 10.1110/ps.0226603  1
2003 Papoian GA, DeGrado WF, Klein ML. 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. 125: 560-9. PMID 12517172 DOI: 10.1021/ja028161l  1
2003 Getahun Z, Huang CY, Wang T, De León B, DeGrado WF, Gai F. Using nitrile-derivatized amino acids as infrared probes of local environment. Journal of the American Chemical Society. 125: 405-11. PMID 12517152 DOI: 10.1021/ja0285262  1
2002 Li R, Babu CR, Valentine K, Lear JD, Wand AJ, 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. 41: 15618-24. PMID 12501190 DOI: 10.1021/bi026822l  1
2002 Huang CY, He S, DeGrado WF, McCafferty DG, Gai F. Light-induced helix formation. Journal of the American Chemical Society. 124: 12674-5. PMID 12392410 DOI: 10.1021/ja028084u  1
2002 Cheng RP, DeGrado WF. Long-range interactions stabilize the fold of a non-natural oligomer. Journal of the American Chemical Society. 124: 11564-5. PMID 12296699 DOI: 10.1021/ja020728a  1
2002 Summa CM, Rosenblatt MM, Hong JK, Lear JD, DeGrado WF. Computational de novo design, and characterization of an A(2)B(2) diiron protein. Journal of Molecular Biology. 321: 923-38. PMID 12206771 DOI: 10.1016/S0022-2836(02)00589-2  1
2002 Gratkowski H, Dai QH, Wand AJ, DeGrado WF, Lear JD. Cooperativity and specificity of association of a designed transmembrane peptide. Biophysical Journal. 83: 1613-9. PMID 12202385 DOI: 10.1016/S0006-3495(02)73930-1  0.88
2002 Howard KP, 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. 99: 8568-72. PMID 12084917 DOI: 10.1073/pnas.132266099  0.88
2002 Ghirlanda G, Lear JD, Ogihara NL, Eisenberg D, DeGrado WF. A hierarchic approach to the design of hexameric helical barrels. Journal of Molecular Biology. 319: 243-53. PMID 12051949 DOI: 10.1016/S0022-2836(02)00233-4  1
2002 Tew GN, Liu D, Chen B, Doerksen RJ, Kaplan J, Carroll PJ, Klein ML, DeGrado WF. De novo design of biomimetic antimicrobial polymers. Proceedings of the National Academy of Sciences of the United States of America. 99: 5110-4. PMID 11959961 DOI: 10.1073/pnas.082046199  1
2002 Huang CY, Getahun Z, Zhu Y, Klemke JW, DeGrado WF, Gai F. Helix formation via conformation diffusion search. Proceedings of the National Academy of Sciences of the United States of America. 99: 2788-93. PMID 11867741 DOI: 10.1073/pnas.052700099  1
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). 40: 1494-1496. PMID 29712367 DOI: 10.1002/1521-3773(20010417)40:8<1494::AID-ANIE1494>3.0.CO;2-X  0.8
2001 Walsh ST, Lee AL, DeGrado WF, Wand AJ. Dynamics of a de novo designed three-helix bundle protein studied by 15N, 13C, and 2H NMR relaxation methods. Biochemistry. 40: 9560-9. PMID 11583155 DOI: 10.1021/bi0105274  1
2001 North B, Summa CM, Ghirlanda G, DeGrado WF. D(n)-symmetrical tertiary templates for the design of tubular proteins. Journal of Molecular Biology. 311: 1081-90. PMID 11531341 DOI: 10.1006/jmbi.2001.4900  1
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 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). 40: 1494-1496. PMID 11317312 DOI: 10.1002/1521-3773(20010417)40:8<1494::AID-ANIE1494>3.0.CO;2-X  1
2001 Walsh ST, Sukharev VI, Betz SF, Vekshin NL, DeGrado WF. Hydrophobic core malleability of a de novo designed three-helix bundle protein. Journal of Molecular Biology. 305: 361-73. PMID 11124911 DOI: 10.1006/jmbi.2000.4184  0.36
2000 Talaga DS, Lau WL, Roder H, Tang J, Jia Y, DeGrado WF, Hochstrasser RM. 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. 97: 13021-6. PMID 11087856 DOI: 10.1073/pnas.97.24.13021  1
2000 Lombardi A, Summa CM, Geremia S, Randaccio L, Pavone V, DeGrado WF. 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. 97: 6298-305. PMID 10841536 DOI: 10.1073/pnas.97.12.6298  1
1999 DeGrado WF, Summa CM, Pavone V, Nastri F, Lombardi A. De novo design and structural characterization of proteins and metalloproteins. Annual Review of Biochemistry. 68: 779-819. PMID 10872466 DOI: 10.1146/annurev.biochem.68.1.779  1
1999 DeGrado WF, Schneider JP, Hamuro Y. The twists and turns of beta-peptides. The Journal of Peptide Research : Official Journal of the American Peptide Society. 54: 206-17. PMID 10517158 DOI: 10.1034/j.1399-3011.1999.00131.x  1
1999 Summa CM, Lombardi A, Lewis M, DeGrado WF. Tertiary templates for the design of diiron proteins. Current Opinion in Structural Biology. 9: 500-8. PMID 10449377 DOI: 10.1016/S0959-440X(99)80071-2  1
1999 Walsh ST, Cheng H, Bryson JW, Roder H, DeGrado WF. 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. 96: 5486-91. PMID 10318910 DOI: 10.1073/pnas.96.10.5486  1
1998 Schneider JP, Lombardi A, DeGrado WF. Analysis and design of three-stranded coiled coils and three-helix bundles. Folding & Design. 3: R29-40. PMID 9565750 DOI: 10.1016/S1359-0278(98)00011-X  0.44
1993 Fairman R, Beran-Steed RK, Anthony-Cahill SJ, Lear JD, Stafford WF, DeGrado WF, Benfield PA, Brenner SL. 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. 90: 10429-33. PMID 8248126 DOI: 10.1073/pnas.90.22.10429  1
1992 Anthony-Cahill SJ, Benfield PA, Fairman R, Wasserman ZR, Brenner SL, Stafford WF, Altenbach C, Hubbell WL, DeGrado WF. Molecular characterization of helix-loop-helix peptides. Science (New York, N.Y.). 255: 979-83. PMID 1312255  1
1982 DeGrado WF, Musso GF, Lieber M, Kaiser ET, Kézdy FJ. Kinetics and mechanism of hemolysis induced by melittin and by a synthetic melittin analogue. Biophysical Journal. 37: 329-38. PMID 7055625 DOI: 10.1016/S0006-3495(82)84681-X  1
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