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Molecular mechanism of HIV-1 integrase-vDNA interactions and strand transfer inhibitor action: A molecular modeling perspective [期刊论文]
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2012, 卷号: 33, 期号: 5
Xue, WW;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:41/0
 
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 Modeling Study of Checkpoint Kinase 1 Inhibitors by Multiple Docking Strategies and Prime/MM-GBSA Calculation [期刊论文]
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 卷号: 32, 期号: 13
Du, J;  Sun, HJ;  Xi, LL;  Li, JZ;  Yang, Y(杨瑛);  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:147/1
 
In silico Prediction of Deleterious Single Amino Acid Polymorphisms from Amino Acid Sequence [期刊论文]
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 卷号: 32, 期号: 7
Li, SY;  Xi, LL;  Li, JZ;  Wang, CQ;  Lei, BL;  Shen, YL;  Liu, HX;  Yao, XJ(姚小军);  Li, BA
  |  View/Download:45/0
 
Structure-Based Quantitative Structure-Activity Relationship Studies of Checkpoint Kinase 1 Inhibitors [期刊论文]
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 卷号: 31, 期号: 15
Du, JA;  Xi, LL;  Lei, BL;  Lu, J;  Li, JZ;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:32/0
 
A New Strategy to Improve the Predictive Ability of the Local Lazy Regression and Its Application to the QSAR Study of Melanin-Concentrating Hormone Receptor 1 Antagonists [期刊论文]
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 卷号: 31, 期号: 5
Li, JZ;  Li, SY;  Lei, BL;  Liu, HX;  Yao, XJ(姚小军);  Liu, MC;  Gramatica, P
  |  View/Download:35/0
 
A Combined Molecular Modeling Study on Gelatinases and Their Potent Inhibitors [期刊论文]
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 卷号: 31, 期号: 1
Xi, LL;  Du, J;  Li, SY;  Li, JZ;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:59/0
 
A Novel Method for Protein-Ligand Binding Affinity Prediction and the Related Descriptors Exploration [期刊论文]
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2009, 卷号: 30, 期号: 6
Li, SY;  Xi, LL;  Wang, CQ;  Li, JZ;  Lei, BL;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:32/0
 
QSAR Study of Malonyl-CoA Decarboxylase Inhibitors Using GA-MLR and a New Strategy of Consensus Modeling [期刊论文]
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 卷号: 29, 期号: 16
Li, JZ;  Lei, RL;  Liu, HX;  Li, SY;  Yao, XJ(姚小军);  Liu, MC;  Gramatica, P
  |  View/Download:35/0
 

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