个人详细信息
姚小军

姚小军

教授
兰州大学 化学化工学院
姚小军教授 (Professor Xiaojun Yao),博士生导师。男,1976年3月生。1998年本科毕业于兰州大学化学系高分子化学专业。1998年至2003年,在兰州大学化学系分析化学专业攻读博士学位。2002年至2005年,在法国巴黎第七大学攻读化学信息与理论化学专业博士学位。2005年1月起在兰州大学化学化工学院工作。曾获促进科学技术研究中法协会信息科学奖、法国华人青年企业家协会教育基金会优秀中国留学人员奖、国家留学基金委优秀自费留学生奖学金等奖励。2007年入选教育部“新世纪优秀人才支持计划”。先后主持和完成国家自然科学基金青年基金项目和面上项目、教育部新世纪优秀人才支持计划项目、教育部留学回国人员启动基金以及3项横向课题。目前担任中国化学会计算机化学专业委员会委员以及Current Pharmaceutical Design刊物编委。目前的主要研究兴趣包括:发展和应用化学信息、分子模拟以及复杂网络分析方法,研究与肿瘤相关信号通路、病毒感染和复制等过程相关的生物大分子的结构、功能及其调控机制;结合化学信息学、分子模拟和生物活性评价,发现和设计具有抗肿瘤和抗病毒活性的苗头或者先导化合物。
个人详细信息

研究成果

362 15378 41 39
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[1] Pan, DB,Niu, YZ,Xue, WW,et al. 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[C]. Chemometrics And Intelligent Laboratory Systems.Amsterdam.2016,185-193.
浏览/下载:72/0
[2] Liu, Yong-Chun,Wei, Xiao-Xia,Xu, Xiu-Ying,et al. Interaction Of Ivig And Camptothecin[C]. Medicine Sciences And Bioengineering - Proceedings Of The 2014 International Conference On Medicine Sciences And Bioengineering, Icmsb 2014.2015,551-558.
浏览/下载:27/0
[3] Luo, JS,Wan, ZQ,Jia, CY,et al. Co-sensitization Of Dithiafulvenyl-phenothiazine Based Organic Dyes With N719 For Efficient Dye-sensitized Solar Cells[J]. Electrochimica Acta,2016,211:364-374.
浏览/下载:43/0
[4] Weng, XL,Wang, Y,Jia, CY,et al. Theoretical Investigation Of Novel Tetrathiafulvalene-triphenylamine Sensitizers[J]. Acta Physico-chimica Sinica,2016,32(8):1990-1998.
浏览/下载:28/0
[5] Pan, DB,Niu, YZ,Ning, LL,et al. 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[J]. Chemometrics And Intelligent Laboratory Systems,2016,156:72-80.
浏览/下载:50/0
[6] Wang, YM,Zhao, JQ,Zhou, SY,et al. New Sesquiterpenes And Benzofuran Derivatives From The Aerial Parts Of Asterothamnus Centrali-asiaticus[J]. Tetrahedron,2016,72(32):4910-4917.
浏览/下载:57/0
[7] Du, J,Wang, X,Dong, CH,et al. Computational Study Of The Binding Mechanism Of Actin-depolymerizing Factor 1 With Actin In Arabidopsis Thaliana[J]. Plos One,2016,11(7).
浏览/下载:41/0
[8] Jin, XJ,Shao, YH,Bai, QF,et al. Insights Into Conformational Regulation Of Pfmate Transporter From Pyrococcus Furiosus Induced By Alternating Protonation State Of Asp41 Residue: A Molecular Dynamics Simulation Study[J]. Biochimica Et Biophysica Acta-general Subjects,2016,1860(6):1173-1180.
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[9] Zheng, GX,Xue, WW,Wang, PP,et al. Exploring The Inhibitory Mechanism Of Approved Selective Norepinephrine Reuptake Inhibitors And Reboxetine Enantiomers By Molecular Dynamics Study[J]. Scientific Reports,2016,6.
浏览/下载:43/0
[10] Zan, WY,Geng, W,Liu, HX,et al. Electronic Properties Of Mos2 On Monolayer, Bilayer And Bulk Sic: A Density Functional Theory Study[J]. Journal Of Alloys And Compounds,2016,666:204-208.
浏览/下载:24/0
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研究主题

Molecular modeling[18] Molecular dynamics simulation[17] molecular modeling[17] QSPR[13] support vector machine[13] human serum albumin[13] heuristic method[12] QSAR[11] Fluorescence quenching[11] human serum albumin (HSA)[10] CoMFA[10] interaction[9] Human serum albumin (HSA)[8] circular dichroism (CD)[8] CoMSIA[8]

成果统计

合作作者[TOP 5]

 

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