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Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations 期刊论文
CHEMICO-BIOLOGICAL INTERACTIONS, 2016, 卷号: 259, 页码: 142-147
Authors:  Zhang, Yuxin;  Huang, Xiaoqin;  Han, Keli;  Zheng, Fang;  Zhan, Chang-Guo
Favorite  |  View/Download:18/0  |  Submit date:2017/10/29
Esterase  Cocaine  Binding Process  Energy Barrier  
Reaction pathways and free energy profiles for cholinesterase-catalyzed hydrolysis of 6-monoacetylmorphine 期刊论文
ORGANIC & BIOMOLECULAR CHEMISTRY, 2014, 卷号: 12, 期号: 14, 页码: 2214-2227
Authors:  Qiao, Yan;  Han, Keli;  Zhan, Chang-Guo;  Han KL(韩克利);  Chang-GuoZhan
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Fundamental Reaction Pathway and Free Energy Profile for Butyrylcholinesterase-Catalyzed Hydrolysis of Heroin 期刊论文
BIOCHEMISTRY, 2013, 卷号: 52, 期号: 37, 页码: 6467-6479
Authors:  Qiao, Yan;  Han, Keli;  Zhan, Chang-Guo;  Han KL(韩克利);  CHANG-GUO ZHAN
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Catalytic Mechanism of Cytochrome P450 for 5 '-Hydroxylation of Nicotine: Fundamental Reaction Pathways and Stereoselectivity 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2011, 卷号: 133, 期号: 19, 页码: 7416-7427
Authors:  Li, Dongmei;  Huang, Xiaoqin;  Han, Keli;  Zhan, Chang-Guo
Favorite  |  View/Download:14/0  |  Submit date:2015/11/12
Catalytic mechanism of cytochrome P450 for 5’-Hydroxylation of nicotine: fundamental reaction pathways and stereoselectivity 期刊论文
Journal of the American Chemical Society, 2011, 卷号: 待补充, 期号: 待补充, 页码: 7416
Authors:  李冬梅;  黄小芹;  韩克利;  湛昌国
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Fundamental Reaction Pathways for Cytochrome P450-Catalyzed 5 '-Hydroxylation and N-Demethylation of Nicotine 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 卷号: 114, 期号: 27, 页码: 9023-9030
Authors:  Li, Dongmei;  Wang, Yong;  Han, Keli;  Zhan, Chang-Guo
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