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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：254/108  |  提交时间：2015/12/17
Ligi  2-pyrone-4  6-dicarboxylate Lactonase  Qm/mm  2-pyrone-4  Hydrolysis Mechanism  6-dicarboxylate (Pdc)  
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：720/150  |  提交时间：2013/03/15
L-alanine Dehydrogenase  Mycobacterium Tuberculosis  Principle Component Analysis  Free Energy Landscape  Molecular Dynamics Simulations  
Theoretical studies on the interactions of XIAP-BIR3 domain with bicyclic and tricyclic core monovalent Smac mimetics 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2010, 卷号: 29, 期号: 3, 页码: 354-362
作者:  Ling, Baoping;  Dong, Lihua;  Zhang, Rui;  Wang, Zhiguo;  Liu, Yongjun;  Liu, Chengbu
收藏  |  浏览/下载：736/0  |  提交时间：2011/12/13
Smac Mimetics  Caspase-9  Xiap-bir3  Molecular Docking  Molecular Dynamics Simulations  Binding Free Energy  
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：1704/311  |  提交时间：2009/12/24
Phenolic Aris  Aldose Reductase  Molecular Docking  Dynamics  Inhibition  
Theoretical studies on the interaction of modified pyrimidines and purines with purine riboswitch 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2009, 卷号: 28, 期号: 1, 页码: 37-45
作者:  Ling, Baoping;  Wang, Zhiguo;  Zhang, Rui;  Meng, Xianghua;  Liu, Yongjun;  Zhang, Changqiao;  Liu, Chengbu
收藏  |  浏览/下载：527/0  |  提交时间：2011/12/13
Pyrimidine  Purine  Purine Riboswitch  Docking  Molecular Dynamics