个人简介
姚小军教授于 1998 年本科毕业于兰州大学,2003 年于同校取得博士学位。
2002 年获促进科学技术研究中法协会奖学金资助留学法国,2004 在巴黎第七大学
获博士学位。2005年姚小军博士受聘于兰州大学化学化工学院教授,博士生导师。
2013 年 7 月任澳门科技大学教授。
姚教授的研究方向包括计算机辅助药物设计、生物信息学和计算生物学、化学资
讯学和化学计量学。姚教授在国际学术刊物上共发表了150余篇SCI论文,于2005
年获促进科学技术研究中法协会信息科学奖,2007 年入选教育部「新世纪优秀人
才」。他的研究得到国家自然科学基金和教育部的资助。
学历
1998.7 兰州大学理学,学士学位
2003.7 兰州大学理学,博士学位
2004.1 法国巴黎第七大学,理学博士学位
教学经验
2005.1 -今 兰州大学化学化工学院,教授
2013.7 - 今 澳门科技大学,教授
研究领域
药物化学,计算机辅助药物设计,生物信息学与计算生物学,化学信息 学与化学计量学
近期论文
查看导师最新文章
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1. Xue W, Ban Y, Liu H, Yao X.* 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. J Chem Inf Model 2013, in press
2. Guo J, Li J, Zhang Y, Jin X, Liu H*, Yao X.* Exploring the Influence of Carbon
Nanoparticles on the Formation of β-Sheet-Rich Oligomers of IAPP22-28 Peptide
by Molecular Dynamics Simulation. PLoS One. 2013, 8:e65579.
3. Bai Q, Zhang Y, Ban Y, Liu H, Yao X.* Computational Study on the Different
Ligands Induced Conformation Change of β2 Adrenergic Receptor-Gs Protein
Complex. PLoS one. 2013, 8: e68138.
4. Xue W, Jin X, Ning L, Wang M, Liu H, Yao X.* Exploring the molecular mechanism
of cross-resistance to HIV-1 integrase strand transfer inhibitors by molecular
dynamics simulation and residue interaction network analysis. J Chem Inf Model.
2013, 53:210-222.
5. Yang Y, Shen Y, Li S, Jin N, Liu H, Yao X.* Molecular dynamics and free energy
studies on Aurora kinase A and its mutant bound with MLN8054: insight into
molecular mechanism of subtype selectivity. Mol Biosyst. 2012, 8: 3049-3060.
6. Yang Y, Liu H, Yao X.* Understanding the molecular basis of MK2-p38α signaling
complex assembly: insights into protein-protein interaction by molecular
dynamics and free energy studies. Mol Biosyst. 2012, 8:2106-2118.
7. Guo J, Ning L, Ren H, Liu H*, Yao X.* Influence of the pathogenic mutations
T188K/R/A on the structural stability and misfolding of human prion protein:
insight from molecular dynamics simulations. Biochim Biophys Acta.
2012,1820:116-123.
8. Xue W, Liu H, Yao X.* Molecular mechanism of HIV-1 integrase-vDNA interactions
and strand transfer inhibitor action: a molecular modeling perspective. J Comput
Chem. 2012, 33:527-536.
9. Xue W, Pan D, Yang Y, Liu H*, Yao X.* Molecular modeling study on the resistance
mechanism of HCV NS3/4A serine protease mutants R155K, A156V and D168A to
TMC435. Antiviral Res. 2012, 93:126-137.
10. Wang C, Xi L, Li S, Liu H, Yao X.* A sequence-based computational model for the
prediction of the solvent accessible surface area for α-helix and β-barrel
transmembrane residues. J Comput Chem. 2012, 33:11-17
11. Yang Y, Shen Y, Liu H, Yao X.* Molecular dynamics simulation and free energy
calculation studies of the binding mechanism of allosteric inhibitors with p38α
MAP kinase. J Chem Inf Model. 2011, 51:3235-3246.
12. Du J, Sun H, Xi L, Li J, Yang Y, Liu H, Yao X.* Molecular modeling study of
checkpoint kinase 1 inhibitors by multiple docking strategies and
prime/MM-GBSA calculation. J Comput Chem. 2011,32: 2800-2809.
13. Li S, Xi L, Li J, Wang C, Lei B, Shen Y, Liu H, Yao X.*, Li B. In silico prediction of
deleterious single amino acid polymorphisms from amino acid sequence. J
Comput Chem. 2011, 32:1211-1216.
14. Yang Y, Qin J, Liu H, Yao X.* Molecular dynamics simulation, free energy
calculation and structure-based 3D-QSAR studies of B-RAF kinase inhibitors. J
Chem Inf Model. 2011, 51:680-692.
15. Du J, Xi L, Lei B, Lu J, Li J, Liu H, Yao X.* Structure-based quantitative
structure-activity relationship studies of checkpoint kinase 1 inhibitors. J Comput
Chem. 2010, 31:2783-2793.
16. Lei B, Li J, Lu J, Du J, Liu H, Yao X.* Rational prediction of the herbicidal activities
of novel protoporphyrinogen oxidase inhibitors by quantitative structure-activity
relationship model based on docking-guided active conformation. J Agric Food
Chem. 2009,57: 9593-9598.
17. Li J, Li S, Lei B, Liu H, Yao X.*, Liu M, Gramatica P. A new strategy to improve the
predictive ability of the local lazy regression and its application to the QSAR study
of melanin-concentrating hormone receptor 1 antagonists. J Comput Chem. 2010,
31:973-985.
18. Xi L, Du J, Li S, Li J, Liu H, Yao X.* A combined molecular modeling study on
gelatinases and their potent inhibitors. J Comput Chem. 2010, 31:24-42.
19. Li S, Xi L, Wang C, Li J, Lei B, Liu H, Yao X.* A novel method for protein-ligand
binding affinity prediction and the related descriptors exploration. J Comput
Chem. 2009, 30:900-909.
20. Li J, Lei B, Liu H, Li S, Yao X.*, Liu M, Gramatica P. QSAR study of malonyl-CoA
decarboxylase inhibitors using GA-MLR and a new strategy of consensus
modeling. J Comput Chem. 2008, 29:2636-2647.