WESTPA: An Interoperable, Highly Scalable Software Package for Weighted Ensemble Simulation and Analysis
Author:
Affiliation:
1. Department of Chemistry, Drake University, Des Moines, Iowa 50311, United States
2. Cardiovascular Research Institute, Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, California 94158, United States
Funder
Division of Molecular and Cellular Biosciences
National Institute of General Medical Sciences
Department of Chemistry, University of Pittsburgh
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct5010615
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