Alchemical Absolute Protein-Ligand Binding Free Energies for Drug Design

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Authors: Yuriy Khalak; Gary Tresadern; Matteo Aldeghi; Hannah Magdalena Baumann; David L. Mobley; Bert L. de Groot; Vytautas Gapsys

Journal title: CHemical Science

Journal number: 59

Journal publisher: Royal Society of Chemistry

Published year: 2021

DOI identifier: 10.26434/chemrxiv-2021-rxxbb

ISSN: 2633-0679