Structural effects on the binding of amine drugs with the diphenylmethyl functionality to cyclodextrins. II. A molecular modeling study.

作者: Wei‐Qin Tong , John L. Lach , Ting‐Fong Chin , J. Keith Guillory

DOI: 10.1023/A:1015816215751

关键词: CyclodextrinForce field (chemistry)TitrationComputational chemistryMolecular mechanicsStereochemistryBinding energyChemistryAmine gas treatingMolecular modelMolecule

摘要: … The principle goal of our research is to compare the energy gain on the formation of the inclusion … WQ Tong, JL Lach, TF Chin, and JK Guillory. Structural effects on the binding of amine …

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