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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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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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)  
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)  
Prediction of the isoelectric point of an amino acid based on GA-PLS and SVMs 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2004, 卷号: 44, 期号: 1
Authors:  Liu, HX;  Zhang, RS(张瑞生);  Yao, XJ(姚小军);  Liu, MC;  Hu, ZD(胡之德);  Fan, BT;  Zhang, RS (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
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Novel prediction for the driving force and guest orientation in the complexation of alpha- and beta-cyclodextrin with benzene derivatives 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 1999, 卷号: 103, 期号: 17
Authors:  Liu, L;  Guo, QX(郭庆祥);  Guo, QX (reprint author), Univ Sci & Technol China, Dept Chem, Hefei 230026, Peoples R China.
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