Improved Modeling of Cation-π and Anion-Ring Interactions Using the Drude Polarizable Empirical Force Field for Proteins

Fang-Yu Lin, Alexander D. MacKerell Jr.. Improved Modeling of Cation-π and Anion-Ring Interactions Using the Drude Polarizable Empirical Force Field for Proteins. Journal of Computational Chemistry, 41(5):439-448, 2020. [doi]

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