个人简历
学历 2005-2009 英国曼彻斯特大学药学院，博士（导师：Richard Bryce） 2002-2005 英国曼彻斯特大学物理与天文学院，学士 工作经历 2015-至今 四川大学华西药学院，特聘副研究员，主要从事计算机辅助药物设计，创新药物开发，是四川大学海外名校博士引进人才计划人员 四川省药学会药物化学专委会 委员 Experimental Biology and Medicine, Frontiers in Molecular Biosciences, Journal of Chemical Information and Modeling等国际学术期刊审稿人 在国际知名期刊发表论文20余篇，多次在包括美国化学年会在内的国际会议发言 2012-2015 美国得州大学奥斯丁药学院，博士后（导师： Kevin Dalby & Pengyu Ren） 2010-2012 美国罗格斯-新泽西州立大学BioMaps Institute，博士后（导师： David Case）
研究领域
计算机辅助药物设计 新药研发 靶向药物开发 分子模拟 计算化学、计算生物物理学 软件开发（AMBER，TINKER，ParmOpt）
近期论文
1.Liu, F.-R.; Jin, H.; Wang, Y.; Chen, C.; Li, M.; Mao, S.-J.; Wang, Q.T.*; Li, H.*, “Anti-CD123 antibody-modified niosomes for targeted delivery of daunorubicin against acute myeloid leukemia”, Drug Delivery, 2017, 24, 882-890 2.Deng, S.; Wang, Q.T.*; and Ren, P.Y.*, “Estimating and modeling charge transfer from the SAPT induction energy”, Journal of Computational Chemistry, 2017, 38, 2222-2231 3.Rockers, JA ; Wang, QT; Liu, CW; Piquemal, JP; Ren, PY; Ponder, JW, “An optimized charge penetration model for use with the AMOEBA force field”, Physical Chemistry and Chemical Physics, 2017, 19, 276-291 4.Edupuganti, R; Taliaferro, JM; Wang, QT; Xie, X; Cho, EJ; Vidhu, F; Ren, P; Anslyn, EV; Bartholomeusz, C; Dalby, KN, “Discovery of a potent inhibitor of MELK that inhibits expression of the anti-apoptotic protein Mcl-1 and TNBC cell growth”, Bioorganic & Medicinal Chemistry, 2017, 25, 2609-2616 5.Liu, CW; Qi, R; Wang, QT; Piquemal, JP; Ren, PY, “Capturing Many-Body Interactions with Classical Dipole Induction Models”, Journal of Chemical Theory and Computation, 2017, 13, 2751-2761 6.Wang, Y; Liu, FR; Wang, QT; Xiang, HL; Jin, H; Li, H; Mao, SJ, “A novel immunoliposome mediated by CD123 antibody targeting to acute myeloid leukemia cells”, International Journal of Pharmaceutics, 2017, 529, 531-542 7.Qi, R. ;† Wang, Q.T.;† and Ren, P.Y., “General van der Waals potential for common organic molecules”, Bioorgan. Med. Chem., 2016, 24, 4911-4919 (†共同一作) 8.Narth, C.; Lagardere, L.; Polack, E.; Gresh, N.; Wang, Q.T.; Bell, D.R.; Rackers, J.A.; Ponder, J.W.; Ren, P.Y.; Piquemal, J.-P., “Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles”, J. Comp. Chem., 2016 ,37 (5), 494-506 9.Wang, Q.T.; Rackers, J.A.; He, C.; Qi, R.; Narth, C.; Lagardere, L.; Gresh, N.; Ponder, J.W.; Piquemal, J.-P.; Ren, P.Y., “General model for treating short-range electrostatic penetration in a molecular mechanics force field”, Journal of Chemical Theory and Computation, 2015, 11, 2609-2618 10.Wang, Q.T.; Edupuganti, R.; Tavares, C.D.J.; Dalby, K.N. and Ren, P., “Using docking and alchemical free energy perturbation to determine the binding mechanism of eEF2K inhibitors and prioritizing the compound synthesis”, Frontiers in Molecular Biosciences, section Molecular Recognition, 2015, 2, 9 11.Qi, R.; Wang, L.-P.; Wang, Q.T.; Pande, V.; Ren, P.Y., “United polarizable multipole water model for molecular mechanics simulation”, J. Chem. Phys., 2015, 143, 014504 12.Zhang, C.; Lu, C.; Wang, Q.T.; Ponder, J.W.; Ren, P., “Polarizable Multipole-Based Force Field for Dimethyl and Trimethyl Phosphate”, Journal of Chemical Theory and Computation, 2015, 11, 5326-39 13.Li, J.; Zheng, Y.; Yu, X.L.; Lv, S.Y.; Wang, Q.T.; Hai, L.; Wu, Y., “Synthesis of isatins by the palladium-catalyzed intramolecular acylation of unactivated aryl C(sp(2))-H bonds”, RCS Advances, 2015, 5 (125), 103280-103283 14.Wang, Q.T.; Park, J.H.; Devokota, A.; Cho, E.J.; Dalby, K.N. and Ren, P., “Identification and validation of novel PERK inhibitors”, J. Chem. Inf. Model., 2014, 54, 1467–1475 15.Mu, X.;† Wang, Q.T.;† Wang, L.P.; Fried, S.D.; Piquemal, J.P.; Dalby, K.N.; and Ren, P., “Modeling Organochlorine Compounds and the σ-hole Effect Using a Polarizable Multipole Force Field”, J. Phys. Chem. B, 2014, 118 (24), pp 6456–6465, （†共同一作 ） 16.Edupugantia, R.;† Wang, Q.T.;† Tavaresc, C.D.J.;† Chitjian, C.A.; Bachmanb, J.L.; Ren, P.; Anslynb, E.V. and Dalbya, K.N., “Synthesis and Biological Evaluation of Pyrido[2,3-d]pyrimidine-2,4-dione Derivatives as eEF-2K Inhibitors”, Bioorganic & Medicinal Chemistry, 2014, 22, 4910-4916, （†共同一作） 17.Abella, J.R.; Cheng,S.Y.; Wang, Q.T.; Yang, W. and Ren, P., “Hydration Free Energy from Orthogonal Space Random Walk and Polarizable Force Field”, J. Chem. Theory Comput., 2014, 10, 2792-2801 18.Devkota, A.K.; Edupugantia, R.; Yan, C.; Shi, Y.; Jose, J.; Wang, Q.T.; Kaoud, T.S.; Cho, E.J.; Ren, P. and Dalby, K.N., “Reversible Covalent Inhibition of eEF-2K by Carbonitriles”, ChemBioChem, 2014, 15, 2435-2442
