Enhancing Protein–Ligand Binding Affinity Predictions Using Neural Network Potentials

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Authors: Francesc Sabanés Zariquiey, Raimondas Galvelis, Emilio Gallicchio, John D. Chodera, Thomas E. Markland, Gianni De Fabritiis

Journal title: Journal of Chemical Information and Modeling

Journal number: 64

Journal publisher: American Chemical Society

Published year: 2024

Published pages: 1481-1485

DOI identifier: 10.1021/acs.jcim.3c02031

ISSN: 1549-9596