Large scale relative protein ligand binding affinities using non-equilibrium alchemy

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Authors: Vytautas Gapsys, Laura Pérez-Benito, Matteo Aldeghi, Daniel Seeliger, Herman van Vlijmen, Gary Tresadern, Bert L. de Groot

Journal title: Chemical Science

Journal number: 11/4

Journal publisher: Royal Society of Chemistry

Published year: 2020

Published pages: 1140-1152

DOI identifier: 10.1039/c9sc03754c

ISSN: 2041-6520