| CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues S Jo, X Cheng, SM Islam, L Huang, H Rui, A Zhu, HS Lee, Y Qi, W Han, ... Advances in protein chemistry and structural biology 96, 235-265, 2014 | 239 | 2014 |
| Theoretical analysis of secondary structures of β-peptides YD Wu, WEI Han, DP Wang, YI Gao, YL Zhao Accounts of chemical research 41 (10), 1418-1427, 2008 | 135 | 2008 |
| Fibril Elongation by Aβ17–42: Kinetic Network Analysis of Hybrid-Resolution Molecular Dynamics Simulations W Han, K Schulten Journal of the American Chemical Society 136 (35), 12450-12460, 2014 | 128 | 2014 |
| Further optimization of a hybrid united-atom and coarse-grained force field for folding simulations: improved backbone hydration and interactions between charged side chains W Han, K Schulten Journal of chemical theory and computation 8 (11), 4413-4424, 2012 | 128 | 2012 |
| Macrolide antibiotics allosterically predispose the ribosome for translation arrest S Sothiselvam, B Liu, W Han, H Ramu, D Klepacki, GC Atkinson, A Brauer, ... Proceedings of the National Academy of Sciences 111 (27), 9804-9809, 2014 | 121 | 2014 |
| PACE force field for protein simulations. 1. Full parameterization of version 1 and verification W Han, CK Wan, F Jiang, YD Wu Journal of chemical theory and computation 6 (11), 3373-3389, 2010 | 97 | 2010 |
| A strand-loop-strand structure is a possible intermediate in fibril elongation: long time simulations of amyloid-β peptide (10-35) W Han, YD Wu Journal of the American Chemical Society 127 (44), 15408-15416, 2005 | 93 | 2005 |
| Transient β-hairpin formation in α-synuclein monomer revealed by coarse-grained molecular dynamics simulation H Yu, W Han, W Ma, K Schulten The Journal of chemical physics 143 (24), 2015 | 88 | 2015 |
| Parameterization of PACE force field for membrane environment and simulation of helical peptides and helix–helix association CK Wan, W Han, YD Wu Journal of chemical theory and computation 8 (1), 300-313, 2012 | 74 | 2012 |
| Water access points and hydration pathways in CLC H+/Cl− transporters W Han, RC Cheng, MC Maduke, E Tajkhorshid Proceedings of the National Academy of Sciences 111 (5), 1819-1824, 2014 | 67 | 2014 |
| The intrinsic conformational features of amino acids from a protein coil library and their applications in force field development F Jiang, W Han, YD Wu Physical chemistry chemical physics 15 (10), 3413-3428, 2013 | 64 | 2013 |
| CHARMM-GUI PACE CG Builder for solution, micelle, and bilayer coarse-grained simulations Y Qi, X Cheng, W Han, S Jo, K Schulten, W Im Journal of chemical information and modeling 54 (3), 1003-1009, 2014 | 59 | 2014 |
| PACE force field for protein simulations. 2. Folding simulations of peptides W Han, CK Wan, YD Wu Journal of Chemical Theory and Computation 6 (11), 3390-3402, 2010 | 54 | 2010 |
| Revealing an outward-facing open conformational state in a CLC Cl–/H+ exchange transporter CM Khantwal, SJ Abraham, W Han, T Jiang, TS Chavan, RC Cheng, ... Elife 5, e11189, 2016 | 51 | 2016 |
| Influence of side chain conformations on local conformational features of amino acids and implication for force field development F Jiang, W Han, YD Wu The Journal of Physical Chemistry B 114 (17), 5840-5850, 2010 | 51 | 2010 |
| Conformation dependence of diphenylalanine self-assembly structures and dynamics: Insights from hybrid-resolution simulations Q Xiong, Y Jiang, X Cai, F Yang, Z Li, W Han ACS nano 13 (4), 4455-4468, 2019 | 50 | 2019 |
| Self-assembly pathways of β-sheet-rich amyloid-β (1–40) dimers: Markov state model analysis on millisecond hybrid-resolution simulations Y Cao, X Jiang, W Han Journal of chemical theory and computation 13 (11), 5731-5744, 2017 | 50 | 2017 |
| Assembly of Nsp1 nucleoporins provides insight into nuclear pore complex gating R Gamini, W Han, JE Stone, K Schulten PLoS computational biology 10 (3), e1003488, 2014 | 50 | 2014 |
| Coarse-grained protein model coupled with a coarse-grained water model: Molecular dynamics study of polyalanine-based peptides W Han, YD Wu Journal of chemical theory and computation 3 (6), 2146-2161, 2007 | 50 | 2007 |
| Characterization of folding mechanisms of Trp-cage and WW-domain by network analysis of simulations with a hybrid-resolution model W Han, K Schulten The Journal of Physical Chemistry B 117 (42), 13367-13377, 2013 | 47 | 2013 |
