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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Effects of the A117V mutation on the folding and aggregation of palindromic sequences (PrP113-120) in prion: insights from replica exchange molecular dynamics simulations 期刊论文
MOL BIOSYST, 2015, 卷号: 11, 期号: 2, 页码: 647-655
Authors:  Ning, Lulu;  Wang, Qianqian;  Zheng, Yang;  Liu, Huanxiang;  Yao, Xiaojun
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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
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Hepatitis C virus  NS3/4A protease  Drug resistance  ITMN-191  Molecular dynamics simulation  
Understanding the recognition mechanisms of Z alpha domain of human editing enzyme ADAR1 (hZ alpha(ADAR1)) and various Z-DNAs from molecular dynamics simulation 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 11, 页码: -
Authors:  Wang, Qianqian;  Li, Lanlan;  Wang, Xiaoting;  Liu, Huanxiang;  Yao, Xiaojun
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Binding free energy  Molecular dynamics simulation  Protein-DNA interaction  Recognition mechanism  
In Silico Identification of the Potential Drug Resistance Sites over 2009 Influenza A (H1N1) Virus Neuraminidase 期刊论文
MOLECULAR PHARMACEUTICS, 2010, 卷号: 7, 期号: 3, 页码: 894-904
Authors:  Liu, Huanxiang;  Yao, Xiaojun;  Wang, Chengqi;  Han, Jian
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2009 H1N1 influenza A virus  drug resistance  neuraminidase inhibitors  molecular dynamics simulation  molecular mechanics generalized Born surface area (MM-GBSA)  
Exploring the molecular basis of dsRNA recognition by NS1 protein of influenza A virus using molecular dynamics simulation and free energy calculation 期刊论文
ANTIVIRAL RESEARCH, 2011, 卷号: 92, 期号: 3, 页码: 424-433
Authors:  Pan, Dabo;  Sun, Huijun;  Shen, Yulin;  Liu, Huanxiang;  Yao, Xiaojun
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Influenza A virus  Nonstructural protein 1  Protein RNA interaction  Molecular dynamics simulation  Molecular mechanics generalized born surface area (MM-GBSA)  
Exploring structural and thermodynamic stabilities of human prion protein pathogenic mutants D202N, E211Q and Q217R 期刊论文
JOURNAL OF STRUCTURAL BIOLOGY, 2012, 卷号: 178, 期号: 3, 页码: 225-232
Authors:  Guo, Jingjing;  Ren, Hui;  Ning, Lulu;  Liu, Huanxiang;  Yao, Xiaojun
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Familial prion diseases  Molecular dynamics simulation  Prion protein (PrP)  D202N/E211Q/Q217R mutants  MM-GBSA method  
Molecular dynamics and free energy studies on Aurora kinase A and its mutant bound with MLN8054: insight into molecular mechanism of subtype selectivity 期刊论文
MOL BIOSYST, 2012, 卷号: 8, 期号: 11, 页码: 3049-3060
Authors:  Yang, Ying;  Shen, Yulin;  Li, Shuyan;  Jin, Nengzhi;  Liu, Huanxiang;  Yao, Xiaojun
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基于启发式方法和支持向量机方法预测药物与人血浆蛋白结合率 期刊论文
化学学报, 2006, 期号: 5, 页码: 415-422+361
Authors:  司宏宗;  姚小军;  刘焕香;  王杰;  李加忠;  胡之德;  刘满仓
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定量构效关系  血浆蛋白结合率  支持向量机  启发式回归方法  
基于启发式方法和支持向量机方法预测α环糊精—苯衍生物包结物稳定常数 期刊论文
兰州大学学报(自然科学版), 2007, 期号: 3, 页码: 81-85
Authors:  司宏宗;  姚小军;  刘焕香;  王杰;  李加忠;  胡之德;  刘满仓
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定量结构性质关系  α-环糊精  启发式方法  支持向量机