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Theoretical Investigation on the Dissociation of (R)-Benzoin Catalyzed by Benzaldehyde Lyase 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2014, 卷号: 114, 期号: 6, 页码: 375-382
作者:  Zhang, Jing;  Sheng, Xiang;  Hou, QianQian;  Liu, Yongjun
浏览  |  Adobe PDF(858Kb)  |  收藏  |  浏览/下载：410/107  |  提交时间：2014/12/19
Benzaldehyde Lyase  Density Functional Theory Method  Reaction Mechanism  Thdp-dependent Enzyme  R-benzoin  
QM/MM study on the catalytic mechanism of cyclohexane-1,2-dione hydrolase (CDH) 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2013, 卷号: 133, 期号: 2
作者:  Zhu, Wenyou;  Liu, Yongjun;  Liu, YJ (reprint author), Shandong Univ, Sch Chem & Chem Engn, Key Lab Colloid & Interface Chem, Minist Educ, Jinan 250100, Shandong, Peoples R China.
Adobe PDF(693Kb)  |  收藏  |  浏览/下载：915/149  |  提交时间：2014/05/09
Cyclohexane-1  Reaction Mechanism  2-dione (Cdo)  Cyclohexane-1  Qm/mm  2-dione Hydrolase (Cdh)  Thiamine Diphosphate (Thdp)-dependent Enzyme  
Computational studies on the catalytic mechanism of phosphoketolase 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2013, 卷号: 1025, 页码: 1-7
作者:  Zhang, Jing;  Liu, Yongjun;  Liu, YJ (reprint author), Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, Shandong, Peoples R China.
Adobe PDF(1726Kb)  |  收藏  |  浏览/下载：562/152  |  提交时间：2014/05/09
Phosphoketolase  Density Functional Theory (Dft) Method  Reaction Mechanism  Thdp-dependent Enzyme  Dehydration  Keto-enol Tautomerism  
Theoretical studies on the common catalytic mechanism of transketolase by using simplified models 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2013, 卷号: 39, 页码: 23-28
作者:  Sheng, Xiang;  Liu, Yongjun;  Liu, Chengbu
Adobe PDF(955Kb)  |  收藏  |  浏览/下载：504/123  |  提交时间：2014/05/09
Transketolase  Density Functional Theory (Dft) Method  Reaction Mechanism  Thdp-dependent Enzyme  2-carbon Fragment Transfer  
A QM/MM study on the catalytic mechanism of pyruvate decarboxylase 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2012, 卷号: 131, 期号: 10
作者:  Hou, Qianqian;  Gao, Jun;  Liu, Yongjun;  Liu, Chengbu
浏览  |  Adobe PDF(606Kb)  |  收藏  |  浏览/下载：764/210  |  提交时间：2013/03/15
Pyruvate Decarboxylase  Decarboxylation  Protonation State  Combined Qm/mm  Reaction Mechanism