Free energy along drug-protein binding pathways interactively sampled in virtual reality

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Authors: Deeks, Helen M.; Zinovjev, Kirill; Barnoud, Jonathan; Mulholland, Adrian J.; van der Kamp, Marc W.; Glowacki, David R.

Journal title: Scientific Reports

Journal number: 13

Journal publisher: Nature Publishing Group

Published year: 2023

Published pages: 16665

DOI identifier: 10.1038/s41598-023-43523-x

ISSN: 2045-2322