| A Study of a Molecular Mechanics Field Used in Simulating Enantiorecognition |
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| 引用本文： | He Qing SHEN, Qing Hat WANG, Dao Qian ZHU, Liang Mo ZHOU(Dalian Institute of Chemical Physic. Chinese Academy of Sciences. Dalian 116012). A Study of a Molecular Mechanics Field Used in Simulating Enantiorecognition[J]. 中国化学快报, 1999, 0(5) |
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| 作者姓名： | He Qing SHEN Qing Hat WANG Dao Qian ZHU Liang Mo ZHOU(Dalian Institute of Chemical Physic. Chinese Academy of Sciences. Dalian 116012) |
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| 摘 要： | Enantiorecognitionisameasureofthediscriminationabilitybetweenenantiomericmolecules.Itisoffundamentalsignificanceinmanyareasofthechemicalandbiologicalsciences,italsoplaysanimportantroleinseparationofenantiomersbychromatography.Althoughtheintermolecularforces(hydrogenbonding,multipolarassociation,dispersionforces,chargetransfercomplexation,hydrophobicassociation.etc.)havebeenthoroughlystudiedandarewelldocumented,buthowtheseforcespreciselyworkinconcerttopromoteintermolecularactionisnotclearyet'.T…
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A Study of a Molecular Mechanics Field Used in Simulating Enantiorecognition |
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| He Qing SHEN, Qing Hat WANG, Dao Qian ZHU, Liang Mo ZHOU. A Study of a Molecular Mechanics Field Used in Simulating Enantiorecognition[J]. Chinese Chemical Letters, 1999, 0(5) |
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| Authors: | He Qing SHEN Qing Hat WANG Dao Qian ZHU Liang Mo ZHOU |
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| Affiliation: | Dalian Institute of Chemical Physic. Chinese Academy of Sciences. Dalian 116012 |
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| Abstract: | A molecular mechanics field, Alchemy was utilized to model the chiral recognitionbetween S-N-acetyl-a-methyl-1-naphthylam and (R. S)-N-(3. 5-dinitrophenyl)-a-methylbenzeneacetamide and between -cyclodextrin and (R, S)-fenoprofen. Some preliminary resultshave been obtained to sustain the three-point action models and the induce-tit action inenantiorecogn ition. |
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| Keywords: | Molecular mechanics simulating enantiorecognition |
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