兰州大学机构库

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Understanding the drug resistance mechanism of hepatitis C virus NS5B to PF-00868554 due to mutations of the 423 site: a computational study 期刊论文
MOL BIOSYST, 2014, 卷号: 10, 期号: 4, 页码: 767-777
Authors:  Jiao, Pingzu;  Xue, Weiwei;  Shen, Yulin;  Jin, Nengzhi;  Liu, Huanxiang
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Molecular modeling and residue interaction network studies on the mechanism of binding and resistance of the HCV NS5B polymerase mutants to VX-222 and ANA598 期刊论文
ANTIVIRAL RESEARCH, 2014, 卷号: 104
Authors:  Xue, Weiwei;  Jiao, Pingzu;  Liu, Huanxiang;  Yao, Xiaojun
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HCV NS5B polymerase  Mutation-induced drug resistance  Molecular docking  MD simulation  Binding free energy calculation  Residue interaction network  
The activity prediction of indole inhibitors against HCV NS5B polymerase 期刊论文
Chemical Biology & Drug Design, 2020, 卷号: 95, 期号: 2, 页码: 240-247
Authors:  Muhire, Jules;  Zhai, Hong Lin;  Lu, Shao Hua;  Li, Sha Sha;  Yin, Bo;  Mi, Jia Ying
Adobe PDF(748Kb)  |  Favorite  |    Submit date:2020/08/27
biological activity prediction model  hepatitis C virus  NS5B polymerase inhibitors  quantitative structure-activity relationship  Tchebichef image moments  
Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of thiazolone derivatives as hepatitis C virus NS5B polymerase allosteric inhibitors 期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2008, 卷号: 22, 期号: 10
Authors:  Lei, BL;  Du, J;  Li, SY(李书艳);  Liu, HX;  Ren, YY;  Yao, XJ(姚小军);  Yao, XJ (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.
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3D-QSAR  hepatitis C virus NS5B polymerase  CoMFA  CoMSIA  
HCV病毒NS5B聚合酶抑制剂与靶标相互作用的分子模拟研究 学位论文
硕士, 兰州: 兰州大学, 2011
Authors:  孙慧君
Favorite  |    Submit date:2019/01/18
HCV  NS5B聚合酶  分子动力学模拟  结合自由能计算  MM-PBSA  MM-GBSA  
Simple and accurate approaches to predict the activity of benzothiadiazine derivatives as HCV inhibitors 期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2012, 卷号: 21, 期号: 8
Authors:  Su, L;  Li, L;  Li, YW;  Zhang, XY(张晓昀);  Huang, XY;  Zhai, HL(翟红林);  Zhang, XY (reprint author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Gansu, Peoples R China.
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BMLR  HCV  QSAR  RBFNN  SVM  
Computational study on the binding and unbinding mechanism of HCV NS5B with the inhibitor GS-461203 and substrate using conventional and steered molecular dynamics simulations 期刊论文
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2016, 卷号: 156, 页码: 72-80
Authors:  Pan, Dabo;  Niu, Yuzhen;  Ning, Lulu;  Zhang, Yang;  Liu, Huanxiang;  Yao, Xiaojun
Favorite  |    Submit date:2017/01/12
Hepatitis C Virus NS5B RNA-dependent RNA polymerase  GS-461203  Molecular dynamics simulation  Binding free energy calculations  
3D-QSAR and molecular docking studies on designing inhibitors of the hepatitis C virus NS5B polymerase 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2016, 卷号: 1117, 页码: 227-239
Authors:  Li, Wenlian;  Si, Hongzong;  Li, Yang;  Ge, Cuizhu;  Song, Fucheng;  Ma, Xiuting;  Duan, Yunbo;  Zhai, Honglin
Favorite  |    Submit date:2017/01/12
Hepatitis C virus (HCV)  NS5B polymerase inhibitors  QSAR  COMSIA  Molecular docking  
Computational study on the drug resistance mechanism of hepatitis C virus NS5B RNA-dependent RNA polymerase mutants to BMS-791325 by molecular dynamics simulation and binding free energy calculations 会议论文
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, Changsha, PEOPLES R CHINA, JUN 22-26, 2015
Authors:  Pan, Dabo;  Niu, Yuzhen;  Xue, Weiwei;  Bai, Qifeng;  Liu, Huanxiang;  Yao, Xiaojun
Favorite  |    Submit date:2017/01/20
Drug resistance mechanism  Hepatitis C Virus NS5B RNA-dependent  RNA polymerase  BMS-791325  Molecular dynamics simulation  Binding free energy calculations  
Understanding the drug resistance mechanism of hepatitis C virus NS3/4A to ITMN-191 due to R155K, A156V, D168A/E mutations: A computational study 期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2012, 卷号: 1820, 期号: 10, 页码: 1526-1534
Authors:  Pan, Dabo;  Xue, Weiwei;  Zhang, Wenqi;  Liu, Huanxiang;  Yao, Xiaojun
Adobe PDF(1800Kb)  |  Favorite  |    Submit date:2015/12/29
Hepatitis C virus  NS3/4A protease  Drug resistance  ITMN-191  Molecular dynamics simulation