NWIPB OpenIR

浏览/检索结果: 共11条,第1-10条 帮助

限定条件    
已选(0)清除 条数/页:   排序方式:
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:764/0  |  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:710/152  |  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:738/160  |  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:781/177  |  提交时间:2011/12/13
Imidazoline  k(Atp)  Autodock  Gromacs  Molecular Dynamics  
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:1753/333  |  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:558/0  |  提交时间:2011/12/13
Pyrimidine  Purine  Purine Riboswitch  Docking  Molecular Dynamics  
Docking and molecular dynamics study on the inhibitory activity of coumarins on aldose reductase 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 卷号: 112, 期号: 32, 页码: 10033-10040
作者:  Wang, Zhiguo;  Ling, Baoping;  Zhang, Rui;  Liu, Yongjun
浏览  |  Adobe PDF(1053Kb)  |  收藏  |  浏览/下载:799/281  |  提交时间:2009/12/04
Diabetic Complications  
Addition reactions of nitrones on the reconstructed C(100)-2 x 1 surfaces 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2008, 卷号: 850, 期号: 1-3, 页码: 72-78
作者:  Wang, Zhiguo;  Wang, Honglun;  Liu, Yonjun;  Suo, Yourui
浏览  |  Adobe PDF(695Kb)  |  收藏  |  浏览/下载:961/257  |  提交时间:2009/12/07
Nitrone  Carbon  Surface Chemical Reaction  Density Functional Calculations  Ab Initio Quantum Chemical Method And Calculations  
Addition reaction of nitrones on the reconstructed Si(100)-2 x 1 surface 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 卷号: 111, 期号: 12, 页码: 4673-4677
作者:  Liu, Yongjun;  Wang, Zhiguo
浏览  |  Adobe PDF(305Kb)  |  收藏  |  浏览/下载:713/246  |  提交时间:2009/12/08
Hydrogen-terminated Silicon  Cycloaddition Reactions  Alkyl Monolayers  Theoretical Prediction  1  Organic Monolayers  3-dipolar Cycloadditions  Carbonyl-compounds  Si(111) Surfaces  Diels-alder  Mechanism  
Theoretical study on adsorption of Na+ and Na+(H2O)(n) (n=1-6) on a clean Si(111) surface 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 卷号: 111, 期号: 8, 页码: 3427-3432
作者:  Liu, Yongjun;  Wang, Zhiguo;  Suo, Yourui
浏览  |  Adobe PDF(270Kb)  |  收藏  |  浏览/下载:1447/234  |  提交时间:2009/12/08
Optical 2nd-harmonic Generation  Room-temperature Adsorption  Set Superposition Error  Ab-initio  Alkali-metals  Electronic-properties  Clusters  Complexes  Sodium  Level