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Theoretical studies of the nitrogen containing compounds adsorption behavior on Na(I)Y and rare earth exchanged RE(III) Y zeolites [期刊论文]
JOURNAL OF MOLECULAR MODELING, 2015, 卷号: 21, 期号: 1, 页码: -
Geng, W;  Zhang, HT;  Zhao, XF;  Zan, WY;  Gao, XH;  Yao, XJ(姚小军)
View/Download:50/0
 
Understanding the recognition mechanisms of Z alpha domain of human editing enzyme ADAR1 (hZ alpha(ADAR1)) and various Z-DNAs from molecular dynamics simulation [期刊论文]
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 11, 页码: -
Wang, QQ;  Li, LL;  Wang, XT;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
  |  View/Download:65/1
 
The role of Cys179-Cys214 disulfide bond in the stability and folding of prion protein: insights from molecular dynamics simulations [期刊论文]
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 2
Ning, LL;  Guo, JJ;  Jin, NZ;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:48/0
 
Thiophenic compounds adsorption on Na(I)Y and rare earth exchanged Y zeolites: a density functional theory study [期刊论文]
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 11
Gao, XH;  Geng, W;  Zhang, HT;  Zhao, XF;  Yao, XJ(姚小军)
  |  View/Download:31/0
 
Molecular mechanism of the enhanced virulence of 2009 pandemic Influenza A (H1N1) virus from D222G mutation in the hemagglutinin: a molecular modeling study [期刊论文]
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 期号: 9, 页码: 4355-4366
Pan, DB;  Xue, WH;  Wang, XT;  Guo, JJ;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
  |  View/Download:12/0
 
Understanding the molecular mechanism of the broad and potent neutralization of HIV-1 by antibody VRC01 from the perspective of molecular dynamics simulation and binding free energy calculations [期刊论文]
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 期号: 9
Zhang, Y;  Pan, DB;  Shen, YL;  Jin, NZ;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:34/0
 
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 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
 
Prediction of zanamivir efficiency over the possible 2009 Influenza A (H1N1) mutants by multiple molecular dynamics simulations and free energy calculations [期刊论文]
JOURNAL OF MOLECULAR MODELING, 2011, 卷号: 17, 期号: 10, 页码: 2465-2473
Pan, DB;  Sun, HJ;  Bai, CL;  Shen, YL;  Jin, NZ;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
  |  View/Download:22/0
 
A study on the interaction between 5-Methyluridine and human serum albumin using fluorescence quenching method and molecular modeling [期刊论文]
JOURNAL OF MOLECULAR MODELING, 2010, 卷号: 16, 期号: 2
Cui, FL;  Yan, YH;  Zhang, QZ;  Qu, GR;  Du, J;  Yao, XJ(姚小军)
  |  View/Download:30/0
 

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