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Ranking of Ligand Binding Kinetics Using a Weighted Ensemble Approach and Comparison with a Multiscale Milestoning Approach

Surl-Hee Ahn, Benjamin R. Jagger, Rommie E. Amaro. Ranking of Ligand Binding Kinetics Using a Weighted Ensemble Approach and Comparison with a Multiscale Milestoning Approach. Journal of Chemical Information and Computer Sciences, 60(11):5340-5352, 2020. [doi]

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