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A QM/MM study of the catalytic mechanism of nicotinamidase 期刊论文
ORGANIC & BIOMOLECULAR CHEMISTRY, 2014, 卷号: 12, 期号: 8, 页码: 1265-1277
作者:  Sheng, Xiang;  Liu, Yongjun
浏览  |  Adobe PDF(1025Kb)  |  收藏  |  浏览/下载：319/68  |  提交时间：2014/12/19
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：512/125  |  提交时间：2014/05/09
Transketolase  Density Functional Theory (Dft) Method  Reaction Mechanism  Thdp-dependent Enzyme  2-carbon Fragment Transfer  
Theoretical studies on the interaction of biphenyl inhibitors with Mycobacterium tuberculosis protein tyrosine phosphatase MptpB 期刊论文
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 期号: 8, 页码: 3847-3856
作者:  Dong, Lihua;  Shi, Junyou;  Liu, Yongjun
浏览  |  Adobe PDF(890Kb)  |  收藏  |  浏览/下载：779/172  |  提交时间：2013/03/15
Tyrosine Phosphatase b  Biphenyl Inhibitor  Interaction  Molecular Docking  Molecular Dynamics Simulation  
Molecular dynamics simulations of the coenzyme induced conformational changes of Mycobacterium tuberculosis L-alanine dehydrogenase 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2012, 卷号: 35, 页码: 1-10
作者:  Ling, Baoping;  Sun, Min;  Bi, Siwei;  Jing, Zhihong;  Liu, Yongjun
浏览  |  Adobe PDF(3496Kb)  |  收藏  |  浏览/下载：741/158  |  提交时间：2013/03/15
L-alanine Dehydrogenase  Mycobacterium Tuberculosis  Principle Component Analysis  Free Energy Landscape  Molecular Dynamics Simulations