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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：496/118  |  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：763/164  |  提交时间：2013/03/15
Tyrosine Phosphatase b  Biphenyl Inhibitor  Interaction  Molecular Docking  Molecular Dynamics Simulation  
Theoretical Studies on the Conformational Change of Adenosine Kinase Induced by Inhibitors 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2011, 卷号: 111, 期号: 14, 页码: 3980-3990
作者:  Dong, Lihua;  Shi, Junyou;  Wang, Jinhu;  Liu, Yongjun
浏览  |  Adobe PDF(1320Kb)  |  收藏  |  浏览/下载：849/206  |  提交时间：2011/12/13
Adenosine Kinase (Ak)  Inhibitor  Conformational Change  Molecular Dynamic (Md)  
Receptor-based QSAR study for a series of 3,3-disubstituted-5-aryl oxindoles and 6-aryl benzimidazol-2-ones derivatives as progesterone receptor inhibitors 期刊论文
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2011, 卷号: 22, 期号: 7-8, 页码: 775-799
作者:  Wang, J. H.;  Hou, Q. Q.;  Tang, K.;  Cheng, X. L.;  Dong, L. H.;  Liu, Y. J.;  Liu, C. B.
浏览  |  Adobe PDF(1310Kb)  |  收藏  |  浏览/下载：1217/270  |  提交时间：2011/12/14
Progesterone Receptor  Comparative Molecular Field Analysis (Comfa)  Comparative Molecular Similarity Indices Analysis (Comsia)  Inhibitor  Qsar  
STUDY ON THE INTERACTIONS OF Smac MIMETICS WITH XIAP-BIR3 DOMAIN BY DOCKING AND MOLECULAR DYNAMICS SIMULATIONS 期刊论文
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2010, 卷号: 9, 期号: 4, 页码: 797-812
作者:  Ling, Baoping;  Zhang, Rui;  Wang, Zhiguo;  Liu, Yongjun;  Liu, Chengbu
浏览  |  Adobe PDF(1006Kb)  |  收藏  |  浏览/下载：679/141  |  提交时间：2011/12/13
Inhibitor Of Apoptosis Protein (Iap)  Smac Mimetics  Molecular Docking  Molecular Dynamics Simulations  Binding Free Energy  
Synthesis and antimicrobial activities of novel peptide deformylase inhibitors 期刊论文
ARKIVOC, 2010, 页码: 196-205
作者:  Yin, Ling;  Xu, Wei-Ren;  Wang, Zhi-Guo;  Zhang, Da-Tong;  Jia, Jiong;  Ge, Yan-Qing;  Li, Yan;  Wang, Jian-Wu
收藏  |  浏览/下载：509/0  |  提交时间：2011/12/13
Peptide Deformylase  Inhibitors  N-formylhydroxylamine Compounds  Antibacterial Activity  
Theoretical studies on the interaction of guanine riboswitch with guanine and its closest analogues 期刊论文
MOLECULAR SIMULATION, 2010, 卷号: 36, 期号: 12, 页码: 929-938
作者:  Ling, Baoping;  Zhang, Rui;  Wang, Zhiguo;  Dong, Lihua;  Liu, Yongjun;  Zhang, Changqiao;  Liu, Chengbu
浏览  |  Adobe PDF(1430Kb)  |  收藏  |  浏览/下载：708/149  |  提交时间：2011/12/13
Guanine  Guanine Riboswitch  Docking  Molecular Dynamics  Binding Energy  
Docking and molecular dynamics studies on the interaction of four imidazoline derivatives with potassium ion channel (Kir6.2) 期刊论文
MOLECULAR SIMULATION, 2010, 卷号: 36, 期号: 2, 页码: 166-174
作者:  Zhang, Rui;  Wang, Zhiguo;  Ling, Baoping;  Liu, Yongjun;  Liu, Chengbu
浏览  |  Adobe PDF(543Kb)  |  收藏  |  浏览/下载：747/168  |  提交时间：2011/12/13
Imidazoline  k(Atp)  Autodock  Gromacs  Molecular Dynamics  
Docking Studies on the Interaction of Imidazolines and Potassium Ion Channel-Kir6.2 期刊论文
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2009, 卷号: 30, 期号: 11, 页码: 2268-2273
作者:  Zhang Rui;  Ling Bao-Ping;  Meng Xiang-Hua;  Wang Zhi-Guo;  Zhang Chang-Qiao;  Liu Yong-Jun;  Liu Cheng-Bu
收藏  |  浏览/下载：516/0  |  提交时间：2011/12/13
Imidazolines  k(Atp) Channel  Kir6.2  Docking  Binding Site  
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：1706/311  |  提交时间：2009/12/24
Phenolic Aris  Aldose Reductase  Molecular Docking  Dynamics  Inhibition