A Benchmark Test Set for Alchemical Free Energy Transformations and Its Use to Quantify Error in Common Free Energy Methods
Author:
Affiliation:
1. Department of Chemical Engineering, University of Virginia, Charlottesville, Virginia 22904-4741, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct2003995
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