The “weighted ensemble” path sampling method is statistically exact for a broad class of stochastic processes and binning procedures BW Zhang, D Jasnow, DM Zuckerman The Journal of chemical physics 132 (5), 2010 | 207 | 2010 |
Efficient and verified simulation of a path ensemble for conformational change in a united-residue model of calmodulin BW Zhang, D Jasnow, DM Zuckerman Proceedings of the National academy of Sciences 104 (46), 18043-18048, 2007 | 155 | 2007 |
Steady-state simulations using weighted ensemble path sampling D Bhatt, BW Zhang, DM Zuckerman The Journal of chemical physics 133 (1), 2010 | 126 | 2010 |
Transition-event durations in one-dimensional activated processes BW Zhang, D Jasnow, DM Zuckerman The Journal of chemical physics 126 (7), 2007 | 106 | 2007 |
Chaperone activation by unfolding L Foit, JS George, BW Zhang, CL Brooks III, JCA Bardwell Proceedings of the national Academy of Sciences 110 (14), E1254-E1262, 2013 | 81 | 2013 |
Probing pH-dependent dissociation of HdeA dimers BW Zhang, L Brunetti, CL Brooks III Journal of the American Chemical Society 133 (48), 19393-19398, 2011 | 50 | 2011 |
Simulating replica exchange: Markov state models, proposal schemes, and the infinite swapping limit BW Zhang, W Dai, E Gallicchio, P He, J Xia, Z Tan, RM Levy The Journal of Physical Chemistry B 120 (33), 8289-8301, 2016 | 49 | 2016 |
Comparing alchemical and physical pathway methods for computing the absolute binding free energy of charged ligands N Deng, D Cui, BW Zhang, J Xia, J Cruz, R Levy Physical Chemistry Chemical Physics 20 (25), 17081-17092, 2018 | 41 | 2018 |
A Stochastic Solution to the Unbinned WHAM Equations BW Zhang, J Xia, Z Tan, RM Levy The Journal of Physical Chemistry Letters 6, 3834--3840, 2015 | 34 | 2015 |
The Role of Interfacial Water in Protein–Ligand Binding: Insights from the Indirect Solvent Mediated Potential of Mean Force D Cui, BW Zhang, N Matubayasi, RM Levy Journal of chemical theory and computation 14 (2), 512-526, 2018 | 29 | 2018 |
pHsensitive residues in the p19 RNA silencing suppressor protein from carnation Italian ringspot virus affect siRNA binding stability SM Law, BW Zhang, CL Brooks III Protein Science 22 (5), 595-604, 2013 | 28 | 2013 |
Largescale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis J Xia, WF Flynn, E Gallicchio, BW Zhang, P He, Z Tan, RM Levy Journal of computational chemistry 36 (23), 1772-1785, 2015 | 26 | 2015 |
Locally weighted histogram analysis and stochastic solution for large-scale multi-state free energy estimation Z Tan, J Xia, BW Zhang, RM Levy The Journal of Chemical Physics 144 (3), 2016 | 19 | 2016 |
Absolute Protein Binding Free Energy Simulations for Ligands with Multiple Poses, a Thermodynamic Path That Avoids Exhaustive Enumeration of the Poses Y Sakae, BW Zhang, RM Levy, N Deng Journal of Computational Chemistry 41 (1), 56-68, 2020 | 17 | 2020 |
Spatially-decomposed free energy of solvation based on the endpoint density-functional method Y Ishii, N Yamamoto, N Matubayasi, BW Zhang, D Cui, RM Levy Journal of chemical theory and computation 15 (5), 2896-2912, 2019 | 16 | 2019 |
Relationship between Solvation Thermodynamics from IST and DFT Perspectives RM Levy, D Cui, BW Zhang, N Matubayasi The Journal of Physical Chemistry B, 2017 | 15 | 2017 |
Conformational Free Energy Changes via an Alchemical Path without Reaction Coordinates P He, BW Zhang, S Arasteh, L Wang, R Abel, RM Levy The journal of physical chemistry letters 9 (15), 4428-4435, 2018 | 13 | 2018 |
Connecting free energy surfaces in implicit and explicit solvent: an efficient method to compute conformational and solvation free energies N Deng, BW Zhang, RM Levy Journal of chemical theory and computation 11 (6), 2868-2878, 2015 | 13 | 2015 |
the UWHAM and sWHAM software package BW Zhang, S Arasteh, RM Levy Scientific reports 9 (1), 2803, 2019 | 12 | 2019 |
Stratified UWHAM and Its Stochastic Approximation for Multicanonical Simulations Which Are Far from Equilibrium BW Zhang, N Deng, Z Tan, RM Levy Journal of chemical theory and computation 13 (10), 4660-4674, 2017 | 11 | 2017 |