David N LeBard
6PUBLICATIONS
29CO-AUTHORS
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Publications (6)
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|Apr 01, 2026
Publisher's Note: "Reducing weighted ensemble variance with optimal trajectory management" [J. Chem. Phys. 164, 094110 (2026)].Won Hee Ryu, John D Russo, Mats S Johnson
|Mar 03, 2026
Reducing weighted ensemble variance with optimal trajectory management.Won Hee Ryu, John D Russo, Mats S Johnson
|Jul 07, 2025
Lessons Learned from a Ligand-Unbinding Stress Test for Weighted Ensemble Simulations.Anthony T Bogetti, Darian T Yang, Hannah E Piston
|Oct 17, 2024
Exploration of Cryptic Pockets Using Enhanced Sampling Along Normal Modes: A Case Study of KRAS G12D.Neha Vithani, She Zhang, Jeffrey P Thompson
|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
|Apr 14, 2022
Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories.She Zhang, Jeff P Thompson, Junchao Xia
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Frequent Collaborators
5 joint publications
Jeffrey P Thompson
3 joint publications
She Zhang
3 joint publications
Anthony T Bogetti
3 joint publications
Lillian T Chong
3 joint publications
John D Russo
3 joint publications
Daniel M Zuckerman
2 joint publications
David Aristoff
2 joint publications
Mats S Johnson
2 joint publications
Robert J Webber
2 joint publications
Jeremy T Copperman
