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Chun Wu
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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
48712003
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
2662007
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
2462009
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
2342011
Coarse-grained models for protein aggregation
C Wu, JE Shea
Current opinion in structural biology 21 (2), 209-220, 2011
2212011
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
2102006
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
1862012
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
1822007
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
1722008
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
1582009
Convergence of replica exchange molecular dynamics
W Zhang, C Wu, Y Duan
The Journal of chemical physics 123 (15), 2005
1332005
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
1122013
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
1062011
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
1062009
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
992013
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
932016
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
892005
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
852012
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
822014
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
792010
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Articles 1–20