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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：933/154  |  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：573/156  |  提交时间：2014/05/09
Phosphoketolase  Density Functional Theory (Dft) Method  Reaction Mechanism  Thdp-dependent Enzyme  Dehydration  Keto-enol Tautomerism  
QM/MM study of the conversion mechanism of lysine to methylornithine catalyzed by methylornithine synthase (PylB) 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2013, 卷号: 132, 期号: 9
作者:  Zhu, Wenyou;  Liu, Yongjun;  Zhang, Rui;  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(628Kb)  |  收藏  |  浏览/下载：497/116  |  提交时间：2014/05/09
Lysine  Methylornithine  Reaction Mechanism  Qm/mm  Methylornithine Synthase (Pylb)  
Theoretical study on the proton shuttle mechanism of saccharopine dehydrogenase 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2013, 卷号: 44, 页码: 17-25
作者:  Sheng, Xiang;  Gao, Jun;  Liu, Yongjun;  Liu, Chengbu
Adobe PDF(2598Kb)  |  收藏  |  浏览/下载：966/146  |  提交时间：2014/05/09
Saccharopine Dehydrogenase  L-lysine Biosynthesis  Density Functional Theory (Dft) Method  Proton Shuttle  Reaction Mechanism  
Theoretical study on the deglycosylation mechanism of rice BGlu1 beta-glucosidase 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2013, 卷号: 113, 期号: 8, 页码: 1071-1075
作者:  Wang, Jinhu;  Hou, Qianqian;  Sheng, Xiang;  Gao, Jun;  Liu, Yongjun;  Liu, Chengbu;  Wang, JH (reprint author), Shandong Univ, Sch Chem & Chem Engn, Minist Educ, Key Lab Colloid & Interface Chem, Jinan 250100, Shandong, Peoples R China.
Adobe PDF(581Kb)  |  收藏  |  浏览/下载：508/130  |  提交时间：2014/05/09
Qm  Mm  Deglycosylation  -glucosidases  Laminaribiose  Reaction Mechanism  
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：519/129  |  提交时间：2014/05/09
Transketolase  Density Functional Theory (Dft) Method  Reaction Mechanism  Thdp-dependent Enzyme  2-carbon Fragment Transfer