Alchemical Free Energy Estimators and Molecular Dynamics Engines: Accuracy, Precision and Reproducibility

Summary

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Authors: A. Wade, A. P. Bhati, S. Wan, P. V. Coveney

Journal title: J. Chem. Theory Comput

Journal publisher: ACS

Published year: 2022

DOI identifier: 10.1021/acs.jctc.2c00114

ISSN: 1549-9626