Publications by authors named "Jeff P Thompson"

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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, She Zhang, Jeff P Thompson

Living J Comput Mol Sci· January 2023

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Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories.
She Zhang, Jeff P Thompson, Junchao Xia, Anthony T Bogetti, Forrest York

J Chem Inf Model· April 2022

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WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale Applications.
John D Russo, She Zhang, Jeremy M G Leung, Anthony T Bogetti, Jeff P Thompson

J Chem Theory Comput· February 2022

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Publisher's Note: "System-size effects in ionic fluids under periodic boundary conditions" [J. Chem. Phys. 145, 214103 (2016)].
Jeff P Thompson, Isaac C Sanchez

J Chem Phys· January 2017

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System-size effects in ionic fluids under periodic boundary conditions.
Jeff P Thompson, Isaac C Sanchez

J Chem Phys· December 2016

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Forcefield_PTM: Charge and AMBER Forcefield Parameters for Frequently Occurring Post-Translational Modifications.
George A Khoury, Jeff P Thompson, James Smadbeck, Chris A Kieslich, Christodoulos A Floudas

J Chem Theory Comput· December 2013

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