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Drude polarizable force field for cation-π interactions of alkali and quaternary ammonium ions with aromatic amino acid side chains

Author(s): Orabi EA; Davis RL; Lamoureux G;

Cation-p interactions play important roles in molecular recognition and in the stability and function of proteins. However, accurate description of the structure and energetics of cation-p interactions presents a challenge to both additive and polarizable f...

Article GUID: 31652004