"Absolute Protein Binding Free Energy Simulations for Ligands with Multiple ..."

Yoshitake Sakae et al. (2020)

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DOI: 10.1002/JCC.26078

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type: Journal Article

metadata version: 2020-05-30

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Yoshitake Sakae, Bin W. Zhang, Ronald M. Levy, Nan-Jie Deng:
Absolute Protein Binding Free Energy Simulations for Ligands with Multiple Poses, a Thermodynamic Path That Avoids Exhaustive Enumeration of the Poses. J. Comput. Chem. 41(1): 56-68 (2020)

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