Enhancing Side Chain Rotamer Sampling Using Nonequilibrium Candidate Monte Carlo
Author:
Affiliation:
1. Department of Pharmaceutical Sciences, University of California, Irvine, Irvine, California 92697, United States
2. Department of Chemistry, University of California, Irvine, Irvine, California 92617, United States
Funder
Division of Chemistry
Vertex Pharmaceuticals
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01018
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