Guidelines for Free-Energy Calculations Involving Charge Changes

Summary

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Authors: Drazen Petrov, Jan Walther Perthold, Chris Oostenbrink, Bert L. de Groot, Vytautas Gapsys

Journal title: Journal of Chemical Theory and Computation

Journal number: 20

Journal publisher: American Chemical Society (ACS)

Published year: 2024

DOI identifier: 10.1021/ACS.JCTC.3C00757

ISSN: 1549-9618