Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy Predictions

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Authors: Shunzhou Wan, Agastya P. Bhati, Peter V. Coveney

Journal title: Journal of Chemical Theory and Computation

Journal number: 19

Journal publisher: American Chemical Society

Published year: 2023

Published pages: 7846-7860

DOI identifier: 10.1021/acs.jctc.3c00842

ISSN: 1549-9618