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Exploring the Molecular Mechanism of Cross-Resistance to HIV-1 Integrase Strand Transfer Inhibitors by Molecular Dynamics Simulation and Residue Interaction Network Analysis [期刊论文]
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2013, 卷号: 53, 期号: 1
Xue, WW;  Jin, XJ;  Ning, LL;  Wang, MX;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:39/0
 
The molecular basis of IGF-II/IGF2R recognition: a combined molecular dynamics simulation, free-energy calculation and computational alanine scanning study [期刊论文]
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 期号: 4, 页码: 1421-1430
Guo, JJ;  Wang, XT;  Sun, HJ;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
  |  View/Download:9/0
 
A Sequence-Based Computational Model for the Prediction of the Solvent Accessible Surface Area for alpha-Helix and beta-Barrel Transmembrane Residues [期刊论文]
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2012, 卷号: 33, 期号: 1
Wang, CQ;  Xi, LL;  Li, SY;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:66/1
 
Molecular dynamics and free energy studies on Aurora kinase A and its mutant bound with MLN8054: insight into molecular mechanism of subtype selectivity [期刊论文]
MOLECULAR BIOSYSTEMS, 2012, 卷号: 8, 期号: 11, 页码: 3049-3060
Yang, Y;  Shen, YL;  Li, SY;  Jin, NZ;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
  |  View/Download:54/0
 
Understanding the molecular basis of MK2-p38 alpha signaling complex assembly: insights into protein-protein interaction by molecular dynamics and free energy studies [期刊论文]
MOLECULAR BIOSYSTEMS, 2012, 卷号: 8, 期号: 8
Yang, Y(杨瑛);  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:28/0
 
Understanding the structural and energetic basis of inhibitor and substrate bound to the full-length NS3/4A: insights from molecular dynamics simulation, binding free energy calculation and network analysis [期刊论文]
MOLECULAR BIOSYSTEMS, 2012, 卷号: 8, 期号: 10
Xue, WW;  Wang, MX;  Jin, XJ;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:29/0
 
Understanding the effect of drug-resistant mutations of HIV-1 intasome on raltegravir action through molecular modeling study [期刊论文]
MOLECULAR BIOSYSTEMS, 2012, 卷号: 8, 期号: 8
Xue, WW;  Qi, J;  Yang, Y(杨瑛);  Jin, XJ;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:103/2
 
Lanthanide complexes assembled from two flexible amide-type tripodal ligands: terminal groups effect on photoluminescence behavior [期刊论文]
DALTON TRANSACTIONS, 2012, 卷号: 41, 期号: 12
Wang, Q;  Tang, KZ;  Jin, XJ;  Huang, XG;  Liu, WS(刘伟生);  Yao, XJ(姚小军);  Tang, Y(唐瑜)
View/Download:31/0
 
A combined molecular modeling study on a series of pyrazole/isoxazole based human Hsp90 alpha inhibitors [期刊论文]
JOURNAL OF MOLECULAR MODELING, 2011, 卷号: 17, 期号: 12, 页码: 3241-3250
Yang, Y;  Liu, HX(刘焕香);  Du, J;  Qin, J;  Yao, XJ(姚小军)
  |  View/Download:31/0
 
Molecular Dynamics Simulation and Free Energy Calculation Studies of the Binding Mechanism of Allosteric Inhibitors with p38 alpha MAP Kinase [期刊论文]
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2011, 卷号: 51, 期号: 12
Yang, Y(杨瑛);  Shen, YL;  Liu, HX;  Yao, XJ(姚小军)
View/Download:18/0
 

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