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

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Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 41(2020), 5 vom: 15. Feb., Seite 472-481
Auteur principal: Orabi, Esam A (Auteur)
Autres auteurs: Davis, Rebecca L, Lamoureux, Guillaume
Format: Article en ligne
Langue:English
Publié: 2020
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't Cation-π interactions Drude polarizable force field ab initio calculations alkali metal ions binding free energy quaternary ammonium ions Amino Acids, Aromatic Ions plus... Metals, Alkali Quaternary Ammonium Compounds