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The Journal of Chemical Physics|August 12, 2017
System-size effects in ionic fluids under periodic boundary conditionsJeff P Thompson, Isaac C SanchezJournal of Chemical Theory and Computation|February 4, 2014
Forcefield_PTM: <i>Ab Initio</i> Charge and AMBER Forcefield Parameters for Frequently Occurring Post-Translational ModificationsGeorge A Khoury, Jeff P Thompson, James Smadbeck, et al.Journal of Chemical Information and Modeling|April 14, 2022
Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of TrajectoriesShe Zhang, Jeff P Thompson, Junchao Xia, et al.Journal of Chemical Theory and Computation|January 19, 2022
WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale ApplicationsJohn D Russo, She Zhang, Jeremy M G Leung, et al.Living Journal of Computational Molecular Science|May 18, 2023
A Suite of Tutorials for the WESTPA 2.0 Rare-Events Sampling Software [Article v2.0]Anthony T Bogetti, Jeremy M G Leung, John D Russo, et al.Pageof 1