| AMBER 11 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco 142, 2010 | 12282* | 2010 |
| Development of Polarizable Models for Molecular Mechanical Calculations II: Induced Dipole Models Significantly Improve Accuracy of Intermolecular Interaction Energies J Wang, P Cieplak, J Li, J Wang, Q Cai, MJ Hsieh, H Lei, R Luo, Y Duan The journal of physical chemistry. B 115 (12), 3100, 2011 | 150 | 2011 |
| Assessment of linear finite‐difference Poisson–Boltzmann solvers J Wang, R Luo Journal of computational chemistry 31 (8), 1689-1698, 2010 | 102 | 2010 |
| Performance of nonlinear finite-difference Poisson− Boltzmann solvers Q Cai, MJ Hsieh, J Wang, R Luo Journal of Chemical Theory and Computation 6 (1), 203-211, 2010 | 100 | 2010 |
| Poisson-Boltzmann solvents in molecular dynamics simulations J Wang, C Tan, YH Tan, Q Lu, R Luo Commun Comput Phys 3 (5), 1010-1031, 2008 | 92 | 2008 |
| Development of polarizable models for molecular mechanical calculations. 3. Polarizable water models conforming to Thole polarization screening schemes J Wang, P Cieplak, Q Cai, MJ Hsieh, J Wang, Y Duan, R Luo The Journal of Physical Chemistry B 116 (28), 7999-8008, 2012 | 78 | 2012 |
| Reducing Grid Dependence in Finite-Difference Poisson–Boltzmann Calculations J Wang, Q Cai, Y Xiang, R Luo Journal of Chemical Theory and Computation 8 (8), 2741-2751, 2012 | 70 | 2012 |
| On removal of charge singularity in Poisson–Boltzmann equation Q Cai, J Wang, HK Zhao, R Luo The Journal of chemical physics 130 (14), 2009 | 68 | 2009 |
| Achieving energy conservation in Poisson–Boltzmann molecular dynamics: Accuracy and precision with finite-difference algorithms J Wang, Q Cai, ZL Li, HK Zhao, R Luo Chemical physics letters 468 (4-6), 112-118, 2009 | 64 | 2009 |
| Quantitative analysis of Poisson–Boltzmann implicit solvent in molecular dynamics J Wang, C Tan, E Chanco, R Luo Physical Chemistry Chemical Physics 12 (5), 1194-1202, 2010 | 48 | 2010 |
| Refining the description of peptide backbone conformations improves protein simulations using the GROMOS 53A6 force field Z Cao, Z Lin, J Wang, H Liu Journal of computational chemistry 30 (4), 645-660, 2009 | 46 | 2009 |
| Exploring accurate Poisson–Boltzmann methods for biomolecular simulations C Wang, J Wang, Q Cai, Z Li, HK Zhao, R Luo Computational and Theoretical Chemistry 1024, 34-44, 2013 | 44 | 2013 |
| Electrostatic forces in the Poisson-Boltzmann systems L Xiao, Q Cai, X Ye, J Wang, R Luo The Journal of chemical physics 139 (9), 2013 | 36 | 2013 |
| Dielectric boundary force in numerical Poisson–Boltzmann methods: Theory and numerical strategies Q Cai, X Ye, J Wang, R Luo Chemical Physics Letters 514 (4), 368-373, 2011 | 36 | 2011 |
| All-atom computer simulations of amyloid fibrils disaggregation J Wang, C Tan, HF Chen, R Luo Biophysical journal 95 (11), 5037-5047, 2008 | 36 | 2008 |
| Determination of conformational free energies of peptides by multidimensional adaptive umbrella sampling J Wang, Y Gu, H Liu The Journal of chemical physics 125 (9), 2006 | 34 | 2006 |
| A revised density function for molecular surface calculation in continuum solvent models X Ye, J Wang, R Luo Journal of chemical theory and computation 6 (4), 1157-1169, 2010 | 32 | 2010 |
| On-the-fly numerical surface integration for finite-difference Poisson–Boltzmann methods Q Cai, X Ye, J Wang, R Luo Journal of chemical theory and computation 7 (11), 3608-3619, 2011 | 31 | 2011 |
| A hamiltonian replica exchange approach and its application to the study of side-chain type and neighbor effects on peptide backbone conformations C Xu, J Wang, H Liu Journal of Chemical Theory and Computation 4 (8), 1348-1359, 2008 | 31 | 2008 |
| Exploring a charge-central strategy in the solution of Poisson's equation for biomolecular applications X Liu, C Wang, J Wang, Z Li, H Zhao, R Luo Physical Chemistry Chemical Physics 15 (1), 129-141, 2013 | 17 | 2013 |
Ray LuoMolecular Biology and Biochemistry, Biomedical Engineering, and Chemical and Biomolecular在 uci.edu 的电子邮件经过验证
