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Computational Study of the Binding Mechanism of Actin-Depolymerizing Factor 1 with Actin in Arabidopsis thaliana [期刊论文]
PLOS ONE, 2016, 卷号: 11, 期号: 7
Du, J;  Wang, X;  Dong, CH;  Yang, JM;  Yao, XJ(姚小军)
View/Download:41/0
 
Influence of Chirality of Crizotinib on Its MTH1 Protein Inhibitory Activity: Insight from Molecular Dynamics Simulations and Binding Free Energy Calculations [期刊论文]
PLOS ONE, 2015, 卷号: 10, 期号: 12
Niu, YZ;  Pan, DB;  Shi, DF;  Bai, QF;  Liu, HX;  Yao, XJ(姚小军)
View/Download:3/0
 
A Highly Efficient Gene Expression Programming (GEP) Model for Auxiliary Diagnosis of Small Cell Lung Cancer [期刊论文]
PLOS ONE, 2015, 卷号: 10, 期号: 5
Yu, Z;  Lu, HJ;  Si, HZ;  Liu, SH;  Li, XC;  Gao, CH;  Cui, LH;  Li, C;  Yang, X;  Yao, XJ(姚小军)
View/Download:10/0
 
Effects of the Pathogenic Mutation A117V and the Protective Mutation H111S on the Folding and Aggregation of PrP106-126: Insights from Replica Exchange Molecular Dynamics Simulations [期刊论文]
PLOS ONE, 2015, 卷号: 10, 期号: 5
Ning, LL;  Pan, DB;  Zhang, Y;  Wang, SP;  Liu, HX;  Yao, XJ(姚小军)
View/Download:2/0
 
The Molecular Mechanism of Bisphenol A (BPA) as an Endocrine Disruptor by Interacting with Nuclear Receptors: Insights from Molecular Dynamics (MD) Simulations [期刊论文]
PLOS ONE, 2015, 卷号: 10, 期号: 3
Li, LL;  Wang, QQ;  Zhang, Y;  Niu, YZ;  Yao, XJ(姚小军);  Liu, HX
View/Download:5/0
 
Search for beta(2) Adrenergic Receptor Ligands by Virtual Screening via Grid Computing and Investigation of Binding Modes by Docking and Molecular Dynamics Simulations [期刊论文]
PLOS ONE, 2014, 卷号: 9, 期号: 9, 页码: -
Bai, QF;  Shao, YH;  Pan, DB;  Zhang, Y;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:408/2
 
Exploring the Influence of EGCG on the beta-Sheet-Rich Oligomers of Human Islet Amyloid Polypeptide (hIAPP(1-37)) and Identifying Its Possible Binding Sites from Molecular Dynamics Simulation [期刊论文]
PLOS ONE, 2014, 卷号: 9, 期号: 4, 页码: -
Wang, QQ;  Guo, JJ;  Jiao, PZ;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
  |  View/Download:24/0
 
Molecular Modeling Study on the Allosteric Inhibition Mechanism of HIV-1 Integrase by LEDGF/p75 Binding Site Inhibitors [期刊论文]
PLOS ONE, 2014, 卷号: 9, 期号: 3
Xue, WW; Liu, HX; Yao, XJ(姚小军)
  |  View/Download:66/1
 
Computational Study on the Inhibitor Binding Mode and Allosteric Regulation Mechanism in Hepatitis C Virus NS3/4A Protein [期刊论文]
PLOS ONE, 2014, 卷号: 9, 期号: 2
Xue, WW; Yang, Y(杨瑛); Wang, XT; Liu, HX; Yao, XJ(姚小军)
  |  View/Download:37/0
 
Structural Diversity and Initial Oligomerization of PrP106-126 Studied by Replica-Exchange and Conventional Molecular Dynamics Simulations [期刊论文]
PLOS ONE, 2014, 卷号: 9, 期号: 2
Ning, LL; Guo, JJ; Bai, QF; Jin, NZ; Liu, HX; Yao, XJ(姚小军)
  |  View/Download:31/0
 

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