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

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.