Ranking of Ligand Binding Kinetics Using a Weighted Ensemble Approach and Comparison with a Multiscale Milestoning Approach
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States
Funder
University of California, San Diego
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.9b00968
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