Enhancing Protein-Ligand Binding Affinity Predictions Using Neural Network Potentials - researchr publication

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Francesc Sabanés Zariquiey, Raimondas Galvelis, Emilio Gallicchio, John D. Chodera, Thomas E. Markland, Gianni De Fabritiis. Enhancing Protein-Ligand Binding Affinity Predictions Using Neural Network Potentials. Journal of Chemical Information and Computer Sciences, 64(5):1481-1485, March 2024. [doi]

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