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兰州大学机构库
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Computational Study on the Drug Resistance Mechanism against HCV NS3/4A Protease Inhibitors Vaniprevir and MK-5172 by the Combination Use of Molecular Dynamics Simulation, Residue Interaction Network, and Substrate Envelope Analysis 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2014, 卷号: 54, 期号: 2
Authors:  Xue, WW;  Ban, YH;  Liu, HX;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, Dept Chem, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China.
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Prediction on the Inhibition Ratio of Pyrrolidine Derivatives on Matrix Metalloproteinase Based on Gene Expression Programming 期刊论文
BIOMED RESEARCH INTERNATIONAL, 2014, 页码: -
Authors:  Li, YQ;  You, GR;  Jia, BX;  Si, HZ;  Yao, XJ(姚小军);  Li, YQ (reprint author), Taishan Med Univ, Coll Pharm, Tai An 271016, Shandong, Peoples R China.
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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
Authors:  Xue, WW;  Jin, XJ;  Ning, LL;  Wang, MX;  Liu, HX;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, Dept Chem, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China.
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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
Authors:  Yang, Y;  Liu, HX(刘焕香);  Du, J;  Qin, J;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, Key Lab Preclin Study New Drugs Gansu Prov, Lanzhou 730000, Peoples R China.
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Alignment  CoMFA  CoMSIA  Hsp90 alpha inhibitors  Molecular docking  Pharmacophore model  
Structural Requirements of Isoquinolones as Novel Selective c-Jun N-terminal Kinase 1 Inhibitors: 2D and 3D QSAR Analyses 期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2011, 卷号: 77, 期号: 4
Authors:  Du, JA;  Xi, LL;  Lei, BL;  Liu, HX;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
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c-Jun N-terminal kinase 1  comparative molecular field analysis  docking  genetic algorithm-multiple linear regression  isoquinolones  
QSAR Studies on Aminothiazole Derivatives as Aurora A Kinase Inhibitors 期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2010, 卷号: 76, 期号: 6
Authors:  Qin, J;  Xi, LL;  Du, JA;  Liu, HX;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
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aminothiazole  Aurora kinases  CoMFA  CoMSIA  GA-MLR  QSAR  
Extraction, separation and quantitative structure-retention relationship modeling of essential oils in three herbs 期刊论文
JOURNAL OF SEPARATION SCIENCE, 2010, 卷号: 33, 期号: 13
Authors:  Wei, YH;  Xi, LL;  Chen, DX;  Wu, XA;  Liu, HX;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
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Essential oils  Genetic algorithm  Multiple linear regression  Quantitative structure-retention relationships  Retention time  
Rational Prediction of the Herbicidal Activities of Novel Protoporphyrinogen Oxidase Inhibitors by Quantitative Structure-Activity Relationship Model Based on Docking-Guided Active Conformation 期刊论文
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2009, 卷号: 57, 期号: 20
Authors:  Lei, BL;  Li, JZ;  Lu, J;  Du, J;  Liu, HX;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China.
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Protoporphyrinogen Oxidase (Ppo)  Molecular Docking  Quantitative Structure-activity Relationship (Qsar)  Genetic Algorithm-multiple Linear Regression (Ga-mlr)  
Accurate and Validated Quantitative Structure - Activity Relationship Model of Caspase-mediated Apoptosis-inducing Activity of Phenolic Compounds Using Density Functional Theory Calculation and Genetic Algorithm - Multiple Linear Regression 期刊论文
QSAR & COMBINATORIAL SCIENCE, 2008, 卷号: 27, 期号: 11-12
Authors:  Chang, J;  Lei, BL;  Li, JZ;  Li, SY(李书艳);  Shen, YL;  Yao, XJ(姚小军);  Chang, J (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
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Apoptosis  Density functional theory (DFT)  Genetic algorithm (GA)  Multiple linear regression (MLR)  Quantitative struture - activity relationship (QSAR)  
Prediction of Fungicidal Activities of Rice Blast Disease Based on Least-Squares Support Vector Machines and Project Pursuit Regression 期刊论文
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2008, 卷号: 56, 期号: 22
Authors:  Du, HY;  Wang, J;  Hu, ZD(胡之德);  Yao, XJ(姚小军);  Zhang, XY(张晓昀);  Hu, ZD (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
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Quantitative Structure-activity Relationship (Qsar)  Fungicidal Activity  Genetic Algorithm (Ga)  Projection Pursuit Regression (Ppr)  Least-squares Support Vector Machine (Ls-svm)