Perspectives on Ligand/Protein Binding Kinetics Simulations: Force Fields, Machine Learning, Sampling, and User-Friendliness

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Authors: Paolo Conflitti, Stefano Raniolo, Vittorio Limongelli

Journal title: Journal of Chemical Theory and Computation

Journal publisher: American Chemical Society

Published year: 2023

DOI identifier: 10.1021/acs.jctc.3c00641

ISSN: 1549-9618