Accuracy of Alternate Nonpolarizable Force Fields for the Determination of Protein\textendashLigand Binding Affinities Dominated by Cation-π Interactions - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Theory and Computation Année : 2021
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hal-03786802 , version 1 (23-09-2022)

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Han Liu, Haohao Fu, Christophe Chipot, Xueguang Shao, Wensheng Cai. Accuracy of Alternate Nonpolarizable Force Fields for the Determination of Protein\textendashLigand Binding Affinities Dominated by Cation-π Interactions. Journal of Chemical Theory and Computation, 2021, 17 (7), pp.3908--3915. ⟨10.1021/acs.jctc.1c00219⟩. ⟨hal-03786802⟩
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