个人详细信息
刘焕香

刘焕香

教授
兰州大学 药学院
刘焕香,教授,《兰州大学学报医学版》、《药学研究》等杂志编委。目前主要从事研究工作:(1). 针对关键靶标的药物设计和发现研究:应用多种计算机辅助药物分子设计方法结合化学合成、生物化学测试,针对肿瘤发生过程中的关键靶标进行药物设计和发现研究。在此基础上针对现有药物设计方法中存在的问题,发展更为有效的药物设计新方法。(2). 蛋白结构-功能关系研究:基于分子动力学模拟,结合自由能计算及多种实验分析手段研究蛋白的错误折叠,关键氨基酸突变及外界条件对蛋白结构和功能的影响,探讨其功能改变的分子机制。已发表论文:在 Molecular Pharmaceutics, Antiviral Research, BBA-general subjects, Journal of Chemical Informatics and Modeling等国际知名杂志上发表SCI论文90余篇,其中以第一作者和通讯联系人发表的40余篇SCI论文目前已被Chemical Reviews, PNAS, Nature Nanotechnology, Angew. Chem. Int. Ed.等国际知名期刊引用600余次,并多次被Quantum Biochemistry, Computational Toxicology, Computational Methods in Biomedical Research等10余部国外专著引用。主持国家自然基金面上项目1项,青年项目1项,国家自然基金项目1项。
个人详细信息

研究成果

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[1] Bai, QF,Zhang, Y,Li, XM,et al. Computational Study On The Interaction Between Ccr5 And Hiv-1 Entry Inhibitor Maraviroc: Insight From Accelerated Molecular Dynamics Simulation And Free Energy Calculation[J]. Physical Chemistry Chemical Physics,2014,16(44):24332-24338.
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[2] Ning, LL,Wang, QQ,Zheng, Y,et al. Effects Of The A117v Mutation On The Folding And Aggregation Of Palindromic Sequences (prp113-120) In Prion: Insights From Replica Exchange Molecular Dynamics Simulations[J]. Molecular Biosystems,2015,11(2):647-655.
浏览/下载:38/0
[3] Xi, LL,Li, SY,Yao, XJ,et al. In Silico Study Combining Docking And Qsar Methods On A Series Of Matrix Metalloproteinase 13 Inhibitors[J]. Archiv Der Pharmazie,2014,347(11):825-833.
浏览/下载:74/0
[4] Xia, YM,Dai, XL,Liu, HX,et al. First Total Synthesis Of Boehmenan[J]. Journal Of Chemical Sciences,2014,126(3):813-820.
浏览/下载:62/0
[5] Xi, LL,Li, SY,Wei, YH,et al. Recognition Of Protein Folding Kinetics Pathways Based On Amino Acid Properties Information Derived From Primary Sequence[J]. Chemometrics And Intelligent Laboratory Systems,2013,126:76-82.
浏览/下载:23/0
[6] Zhou, Y,Wei, YH,Liu, HX,et al. Preparation And In Vitro Evaluation Of Ethosomal Total Alkaloids Of Sophora Alopecuroides Loaded By A Transmembrane Ph-gradient Method[J]. Aaps Pharmscitech,2010,11(3):1350-1358.
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[7] Li, JZ,Wang, X,Liu, HX,et al. In Silico Classification And Prediction Of Vip Derivatives As Vpac1/vpac2 Receptor Agonists/antagonists[J]. Combinatorial Chemistry & High Throughput Screening,2015,18(1):33-41.
浏览/下载:110/1
[8] Wang, QQ,Ning, LL,Niu, YZ,et al. Molecular Mechanism Of The Inhibition And Remodeling Of Human Islet Amyloid Polypeptide (hiapp(1-37)) Oligomer By Resveratrol From Molecular Dynamics Simulation[J]. Journal Of Physical Chemistry B,2015,119(1):15-24.
浏览/下载:74/0
[9] Wang, QQ,Li, LL,Wang, XT,et al. Understanding The Recognition Mechanisms Of Z Alpha Domain Of Human Editing Enzyme Adar1 (hz Alpha(adar1)) And Various Z-dnas From Molecular Dynamics Simulation[J]. Journal Of Molecular Modeling,2014,20(11):-.
浏览/下载:64/1
[10] Wang, QQ,Guo, JJ,Jiao, PZ,et al. Exploring The Influence Of Egcg On The Beta-sheet-rich Oligomers Of Human Islet Amyloid Polypeptide (hiapp(1-37)) And Identifying Its Possible Binding Sites From Molecular Dynamics Simulation[J]. Plos One,2014,9(4):-.
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总共4页 当前第1页 1

研究主题

Molecular dynamics simulation[9] CoMFA[4] CoMSIA[3] Molecular mechanics generalized born surface area (MM-GBSA)[2] Molecular docking[2] 支持向量机[2] molecular dynamics simulation[2] Drug resistance[2] classification[2] Protein folding kinetics pathway[1] Recursive feature elimination (RFE)[1] 共沸物[1] Protein RNA interaction[1] Nucleation[1] 支撑向量机[1]

成果统计

合作作者[TOP 5]

 

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