Citation: He Qing SHEN, Qing Hai WANG, Dao Qian ZHU, Liang Mo ZHOU. A Study of a Molecular Mechanics Field Used in Simulating Enantiorecognition[J]. Chinese Chemical Letters, ;1999, 10(5): 415-418. shu

A Study of a Molecular Mechanics Field Used in Simulating Enantiorecognition

Dalian Institute of Chemical Physic, Chinese Academy of Sciences, Dalian 116012

Received Date: 28 July 1998

Fund Project: This work was supported by the National Natural Science Foundation of China. Here the authors also very thank Dr. Xue Liang LIU and Dr. Jian Yi NI for their kind help.

A molecular mechanics field, Alchemy 1l, was utilized to model the chiral recognition between S-N-acetyl-α-methyl-I-naphthylamine and (R, S)-N-(3, 5-dinitrophenyl)-α-methyl-benzeneacetamide and between β-cyclodextrin and (R, S)-fenoprofen. Some preliminary results have been obtained to sustain the three-point action models and the induce-tit action in enantiorecogmtion.
- Molecular mechanics,
- simulating,
- enantiorecognition
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