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Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigI 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2015, 卷号: 61, 页码: 21-29
作者:  Zhang, Shujun;  Ma, Guangcai;  Liu, Yongjun;  Ling, Baoping
浏览  |  Adobe PDF(3500Kb)  |  收藏  |  浏览/下载：255/108  |  提交时间：2015/12/17
Ligi  2-pyrone-4  6-dicarboxylate Lactonase  Qm/mm  2-pyrone-4  Hydrolysis Mechanism  6-dicarboxylate (Pdc)  
Ring Contraction Catalyzed by the Metal-Dependent Radical SAM Enzyme: 7-Carboxy-7-deazaguanine Synthase from B. multivorans. Theoretical Insights into the Reaction Mechanism and the Influence of Metal Ions 期刊论文
ACS CATALYSIS, 2015, 卷号: 5, 期号: 7, 页码: 3953-3965
作者:  Zhu, Wenyou;  Liu, Yongjun
收藏  |  浏览/下载：148/0  |  提交时间：2015/12/17
7-carboxy-7-deazaguanine Synthase (Quee)  Reaction Mechanism  7-carboxy-7-deazaguanine (Cdg)  Qm/mm  6-carboxy-5  Sam Radical Enzyme  6  7  8-tetrahydropterin (Cph4)  
A QM/MM study of the catalytic mechanism of aspartate ammonia lyase 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2014, 卷号: 51, 页码: 113-119
作者:  Zhang, Jing;  Liu, Yongjun
浏览  |  Adobe PDF(2157Kb)  |  收藏  |  浏览/下载：354/81  |  提交时间：2014/12/19
Aspartate Ammonia Lyase  Qm/mm  Mutation  Reaction Mechanism  L-aspartate  
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：901/145  |  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  
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：475/107  |  提交时间：2014/05/09
Lysine  Methylornithine  Reaction Mechanism  Qm/mm  Methylornithine Synthase (Pylb)  
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：483/120  |  提交时间：2014/05/09
Qm  Mm  Deglycosylation  -glucosidases  Laminaribiose  Reaction Mechanism  
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：755/205  |  提交时间：2013/03/15
Pyruvate Decarboxylase  Decarboxylation  Protonation State  Combined Qm/mm  Reaction Mechanism  
QM/MM investigation on the catalytic mechanism of Bacteroides thetaiotaomicron alpha-glucosidase BtGH97a 期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS, 2012, 卷号: 1824, 期号: 5, 页码: 750-758
作者:  Wang, Jinhu;  Sheng, Xiang;  Zhao, Yi;  Liu, Yongjun;  Liu, Chengbu
浏览  |  Adobe PDF(1814Kb)  |  收藏  |  浏览/下载：735/144  |  提交时间：2013/03/15
Btgh97a  Pnp-glc  Qm/mm  Reaction Mechanism  
QM/MM studies on the catalytic mechanism of Phenylethanolamine N-methyltransferase 期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS, 2012, 卷号: 1824, 期号: 4, 页码: 533-541
作者:  Hou, Q. Q.;  Wang, J. H.;  Gao, J.;  Liu, Y. J.;  Liu, C. B.
浏览  |  Adobe PDF(1428Kb)  |  收藏  |  浏览/下载：802/193  |  提交时间：2013/03/15
Qm/mm  Epinephrine  Methyltransferase  Reaction Mechanism  Mutation  
QM/MM study of the mechanism of enzymatic limonene 1,2-epoxide hydrolysis 期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS, 2012, 卷号: 1824, 期号: 2, 页码: 263-268
作者:  Hou, Q. Q.;  Sheng, X.;  Wang, J. H.;  Liu, Y. J.;  Liu, C. B.
浏览  |  Adobe PDF(901Kb)  |  收藏  |  浏览/下载：898/163  |  提交时间：2013/03/15
Qm/mm  Hydrolases  Epoxide Ring-opening  Reaction Mechanism  Mutation