Hit-to-lead and lead optimization binding free energy calculations for G protein-coupled receptors

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Authors: Shunzhou Wan, Andrew Potterton, Fouad S. Husseini, David W. Wright, Alexander Heifetz, Maciej Malawski, Andrea Townsend-Nicholson, Peter V. Coveney

Journal title: Interface Focus

Journal number: 10/6

Journal publisher: Royal Society Publishing

Published year: 2020

Published pages: 20190128

DOI identifier: 10.1098/rsfs.2019.0128

ISSN: 2042-8898