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A Study of a Molecular Mechanics Field Used in Simulating Enantiorecognition

A Study of a Molecular Mechanics Field Used in Simulating Enantiorecognition
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摘要 A molecular mechanics field, Alchemy II, was utilized to model the chiral recognition between S-N-acetyl-alpha-methyl-alpha-naphthylamine and (R, S)-N-(3, 5-dinitrophrnyl)-alpha-methyl-benzeneacetamide and between beta-cyclodextrin and (R, S)-fenoprofen. Some preliminary results have: been obtained to sustain the three-point action models and the induce-fit action in enantiorecognition. A molecular mechanics field, Alchemy II, was utilized to model the chiral recognition between S-N-acetyl-alpha-methyl-alpha-naphthylamine and (R, S)-N-(3, 5-dinitrophrnyl)-alpha-methyl-benzeneacetamide and between beta-cyclodextrin and (R, S)-fenoprofen. Some preliminary results have: been obtained to sustain the three-point action models and the induce-fit action in enantiorecognition.
出处 《Chinese Chemical Letters》 SCIE CAS CSCD 1999年第5期415-418,共4页 中国化学快报(英文版)
关键词 molecular mechanics SIMULATING enantiorecognition molecular mechanics simulating enantiorecognition
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