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Bin Zhang
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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
2072010
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
1552007
Steady-state simulations using weighted ensemble path sampling
D Bhatt, BW Zhang, DM Zuckerman
The Journal of chemical physics 133 (1), 2010
1262010
Transition-event durations in one-dimensional activated processes
BW Zhang, D Jasnow, DM Zuckerman
The Journal of chemical physics 126 (7), 2007
1042007
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
812013
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
502016
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
502011
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
412018
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
342015
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
292018
pH‐sensitive 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
272013
Large‐scale 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
262015
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
192016
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
172020
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
162019
Relationship between Solvation Thermodynamics from IST and DFT Perspectives
RM Levy, D Cui, BW Zhang, N Matubayasi
The Journal of Physical Chemistry B, 2017
152017
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
132018
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
132015
the UWHAM and sWHAM software package
BW Zhang, S Arasteh, RM Levy
Scientific reports 9 (1), 2803, 2019
122019
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
112017
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