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A QM/MM study of the reaction mechanism of (R)-hydroxynitrile lyases from Arabidopsis thaliana (AtHNL) 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2015, 卷号: 83, 期号: 1, 页码: 66-77
作者:  Zhu, WY;  Liu, YJ;  Zhang, R;  Liu, YJ (reprint author), Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, Shandong, Peoples R China.
浏览  |  Adobe PDF(928Kb)  |  收藏  |  浏览/下载：207/94  |  提交时间：2015/12/17
R-selective Hnl Enzyme  Asymmetric Synthesis  Catalytic Mechanism  Theoretical Study  Chiral Cyanohydrins  Hydrocyanic Acid  
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：530/145  |  提交时间：2014/05/09
Phosphoketolase  Density Functional Theory (Dft) Method  Reaction Mechanism  Thdp-dependent Enzyme  Dehydration  Keto-enol Tautomerism  
A theoretical study on the halogen bonding interactions of C6F5I with a series of group 10 metal monohalides 期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 9, 页码: 3821-3829
作者:  Cheng, Na;  Liu, Yongjun;  Zhang, Changqiao;  Liu, Chengbu
Adobe PDF(645Kb)  |  收藏  |  浏览/下载：589/153  |  提交时间：2014/05/09
Dft  Halogen Bonds  Iodoperfluoroarenes  Metal Halide  Nbo  
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：472/105  |  提交时间：2014/05/09
Lysine  Methylornithine  Reaction Mechanism  Qm/mm  Methylornithine Synthase (Pylb)