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A theoretical study of the catalytic mechanism of oxalyl-CoA decarboxylase, an enzyme for treating urolithiasis 期刊论文
RSC ADVANCES, 2014, 卷号: 4, 期号: 67, 页码: 35777-35788
作者:  Sheng, Xiang;  Liu, Yongjun;  Zhang, Rui
浏览  |  Adobe PDF(2574Kb)  |  收藏  |  浏览/下载:404/63  |  提交时间:2014/12/19
QM/MM study of the conversion mechanism of lysine to methylornithine catalyzed by methylornithine synthase (PylB) 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2013, 卷号: 132, 期号: 9
作者:  Zhu, Wenyou;  Liu, Yongjun;  Zhang, Rui;  Liu, YJ (reprint author), Shandong Univ, Sch Chem & Chem Engn, Key Lab Colloid & Interface Chem, Minist Educ, Jinan 250100, Shandong, Peoples R China.
Adobe PDF(628Kb)  |  收藏  |  浏览/下载:473/105  |  提交时间:2014/05/09
Lysine  Methylornithine  Reaction Mechanism  Qm/mm  Methylornithine Synthase (Pylb)  
Activation of beta(2)-Adrenergic Receptor Induced by Three Catecholamine Agonists: a Docking and Molecular Dynamics Study 期刊论文
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES, 2012, 卷号: 28, 期号: 3, 页码: 493-499
作者:  Zhang Rui;  Dong Li-hua;  Ling Bao-ping;  Wang Zhi-guo;  Liu Yong-jun
收藏  |  浏览/下载:521/0  |  提交时间:2013/03/15
Beta(2)-adrenergic Receptor(Beta(2)Ar)  g Protein Coupled Receptor(Gpcr)  Molecular Dynamics  Agonist  Activation  
A VALIDATED HPLC-DAD-MS METHOD FOR IDENTIFYING AND DETERMINING THE BIOACTIVE COMPONENTS OF TWO KINDS OF LUOBUMA 期刊论文
JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES, 2011, 卷号: 34, 期号: 7, 页码: 537-547
作者:  Shi, Junyou;  Li, Guoliang;  Zhang, Rui;  Zheng, Jie;  Suo, Yourui;  You, Jinmao;  Liu, Yong-jun
浏览  |  Adobe PDF(313Kb)  |  收藏  |  浏览/下载:927/259  |  提交时间:2011/12/13
Apoacynum Venetum l  Flavonoids  Liquid Chromatography-mass Spectrometry  Poacynum Hendersonii  
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  
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:677/141  |  提交时间:2011/12/13
Inhibitor Of Apoptosis Protein (Iap)  Smac Mimetics  Molecular Docking  Molecular Dynamics Simulations  Binding Free Energy  
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:744/167  |  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:514/0  |  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:1703/311  |  提交时间:2009/12/24
Phenolic Aris  Aldose Reductase  Molecular Docking  Dynamics  Inhibition