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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
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Pyruvate Decarboxylase  Decarboxylation  Protonation State  Combined Qm/mm  Reaction Mechanism  
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
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Tyrosine Phosphatase b  Biphenyl Inhibitor  Interaction  Molecular Docking  Molecular Dynamics Simulation  
Preparative Separation of Methylswertianin, Swerchirin and Decussatin from the Tibetan Medicinal Plant Swertia Mussotii Using High-speed Counter-current Chromatography 期刊论文
PHYTOCHEMICAL ANALYSIS, 2012, 卷号: 23, 期号: 4, 页码: 332-336
作者:  Jia, Jing;  Chen, Tao;  Wang, Ping;  Chen, Guichen;  You, Jinmao;  Liu, Yongjun;  Li, Yulin
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High-speed Counter-current Chromatography  Xanthone  Methylswertianin  Swerchirin  Decussatin  Swertia Mussotii  
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
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Btgh97a  Pnp-glc  Qm/mm  Reaction Mechanism  
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
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L-alanine Dehydrogenase  Mycobacterium Tuberculosis  Principle Component Analysis  Free Energy Landscape  Molecular Dynamics Simulations