| A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations Y Duan, C Wu, S Chowdhury, MC Lee, G Xiong, W Zhang, R Yang, ... Journal of computational chemistry 24 (16), 1999-2012, 2003 | 4946 | 2003 |
| Folding free-energy landscape of villin headpiece subdomain from molecular dynamics simulations H Lei, C Wu, H Liu, Y Duan Proceedings of the National Academy of Sciences 104 (12), 4925-4930, 2007 | 270 | 2007 |
| Human islet amyloid polypeptide monomers form ordered β-hairpins: a possible direct amyloidogenic precursor NF Dupuis, C Wu, JE Shea, MT Bowers Journal of the American Chemical Society 131 (51), 18283-18292, 2009 | 251 | 2009 |
| The amyloid formation mechanism in human IAPP: dimers have β-strand monomer− monomer interfaces NF Dupuis, C Wu, JE Shea, MT Bowers Journal of the American Chemical Society 133 (19), 7240-7243, 2011 | 238 | 2011 |
| Coarse-grained models for protein aggregation C Wu, JE Shea Current opinion in structural biology 21 (2), 209-220, 2011 | 226 | 2011 |
| Strike a balance: optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides ZX Wang, W Zhang, C Wu, H Lei, P Cieplak, Y Duan Journal of computational chemistry 27 (6), 781-790, 2006 | 219 | 2006 |
| Binding of Congo red to amyloid protofibrils of the Alzheimer Aβ9–40 peptide probed by molecular dynamics simulations C Wu, J Scott, JE Shea Biophysical journal 103 (3), 550-557, 2012 | 190 | 2012 |
| Dual binding modes of Congo red to amyloid protofibril surface observed in molecular dynamics simulations C Wu, Z Wang, H Lei, W Zhang, Y Duan Journal of the American Chemical Society 129 (5), 1225-1232, 2007 | 188 | 2007 |
| The binding of thioflavin T and its neutral analog BTA-1 to protofibrils of the Alzheimer’s disease Aβ16–22 peptide probed by molecular dynamics simulations C Wu, Z Wang, H Lei, Y Duan, MT Bowers, JE Shea Journal of molecular biology 384 (3), 718-729, 2008 | 178 | 2008 |
| Binding modes of thioflavin-T to the single-layer β-sheet of the peptide self-assembly mimics C Wu, M Biancalana, S Koide, JE Shea Journal of molecular biology 394 (4), 627-633, 2009 | 157 | 2009 |
| Convergence of replica exchange molecular dynamics W Zhang, C Wu, Y Duan The Journal of chemical physics 123 (15), 2005 | 137 | 2005 |
| Ion mobility spectrometry reveals the mechanism of amyloid formation of Aβ (25–35) and its modulation by inhibitors at the molecular level: epigallocatechin gallate and scyllo … C Bleiholder, TD Do, C Wu, NJ Economou, SS Bernstein, SK Buratto, ... Journal of the American Chemical Society 135 (45), 16926-16937, 2013 | 111 | 2013 |
| On the origin of the stronger binding of PIB over thioflavin T to protofibrils of the Alzheimer amyloid-β peptide: a molecular dynamics study C Wu, MT Bowers, JE Shea Biophysical journal 100 (5), 1316-1324, 2011 | 107 | 2011 |
| The structure of Aβ42 C-terminal fragments probed by a combined experimental and theoretical study C Wu, MM Murray, SL Bernstein, MM Condron, G Bitan, JE Shea, ... Journal of Molecular Biology 387 (2), 492-501, 2009 | 107 | 2009 |
| Structural similarities and differences between amyloidogenic and non-amyloidogenic islet amyloid polypeptide (IAPP) sequences and implications for the dual physiological and … C Wu, JE Shea PLoS computational biology 9 (8), e1003211, 2013 | 104 | 2013 |
| Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces ZA Levine, MV Rapp, W Wei, RG Mullen, C Wu, GH Zerze, J Mittal, ... Proceedings of the National Academy of Sciences 113 (16), 4332-4337, 2016 | 94 | 2016 |
| Elongation of ordered peptide aggregate of an amyloidogenic hexapeptide NFGAIL observed in molecular dynamics simulations with explicit solvent C Wu, H Lei, Y Duan Journal of the American Chemical Society 127 (39), 13530-13537, 2005 | 89 | 2005 |
| Aβ (39–42) modulates Aβ oligomerization but not fibril formation MM Gessel, C Wu, H Li, G Bitan, JE Shea, MT Bowers Biochemistry 51 (1), 108-117, 2012 | 86 | 2012 |
| Defining the molecular basis of amyloid inhibitors: human islet amyloid polypeptide–insulin interactions AC Susa, C Wu, SL Bernstein, NF Dupuis, H Wang, DP Raleigh, JE Shea, ... Journal of the American Chemical Society 136 (37), 12912-12919, 2014 | 83 | 2014 |
| Oligomers of the prion protein fragment 106− 126 are likely assembled from β-hairpins in solution, and methionine oxidation inhibits assembly without altering the peptide’s … M Grabenauer, C Wu, P Soto, JE Shea, MT Bowers Journal of the American Chemical Society 132 (2), 532-539, 2010 | 80 | 2010 |
Yong DuanUniversity of California在 ucdavis.edu 的电子邮件经过验证
