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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：287/122  |  提交时间：2015/12/17
Ligi  2-pyrone-4  6-dicarboxylate Lactonase  Qm/mm  2-pyrone-4  Hydrolysis Mechanism  6-dicarboxylate (Pdc)  
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：383/91  |  提交时间：2014/12/19
Aspartate Ammonia Lyase  Qm/mm  Mutation  Reaction Mechanism  L-aspartate  
Insight into the mechanism of aminomutase reaction: A case study of phenylalanine aminomutase by computational approach 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2013, 卷号: 46, 页码: 65-73
作者:  Wang, Kang;  Hou, Qianqian;  Liu, Yongjun;  Liu, YJ (reprint author), Shandong Univ, Sch Chem & Chem Engn, Key Lab Theoret & Computat Chem Univ Shandong, Jinan 250100, Shandong, Peoples R China.
Adobe PDF(2540Kb)  |  收藏  |  浏览/下载：465/91  |  提交时间：2014/05/09
Aminomutase  Density Functional Calculations  Enzymatic Reaction Mechanisms  Phenylalanine Aminomutase  Stereochemistry  
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：975/152  |  提交时间：2014/05/09
Saccharopine Dehydrogenase  L-lysine Biosynthesis  Density Functional Theory (Dft) Method  Proton Shuttle  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：523/130  |  提交时间：2014/05/09
Transketolase  Density Functional Theory (Dft) Method  Reaction Mechanism  Thdp-dependent Enzyme  2-carbon Fragment Transfer  
QM/MM studies on the glycosylation mechanism of rice BGlu1 beta-glucosidase 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2011, 卷号: 30, 期号: 14, 页码: 148-152
作者:  Wang, Jinhu;  Hou, Qianqian;  Dong, Lihua;  Liu, Yongjun;  Liu, Chengbu
浏览  |  Adobe PDF(420Kb)  |  收藏  |  浏览/下载：1196/301  |  提交时间：2011/12/14
Glycosylation  Beta-glucosidases  Qm/mm  Laminaribiose  Mechanism  
Docking and molecular dynamics studies toward the binding of new natural phenolic marine inhibitors and aldose reductase 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2009, 卷号: 28, 期号: 2, 页码: 162-169
作者:  Wang, Zhiguo;  Ling, Baoping;  Zhang, Rui;  Suo, Yourui;  Liu, Yongjun;  Yu, Zhangyu;  Liu, Chengbu
浏览  |  Adobe PDF(603Kb)  |  收藏  |  浏览/下载：1760/338  |  提交时间：2009/12/24
Phenolic Aris  Aldose Reductase  Molecular Docking  Dynamics  Inhibition