Prof. Renxiao Wang received his Ph.D. at Peking University in 1999. Hedid his postdoctoral training at the University of California Los Angeles andGeorgetown University from 1999 to 2001, and then worked as a researchinvestigator at University of Michigan Medical School from 2001 to 2005. In2005, he joined Shanghai Institute of Organic Chemistry, Chinese Academy ofSciences, as a full professor and principal investigator. In 2020, he startedto work at the Pharmacy School at Fudan University.
Prof. Wang’sresearch interests focus on developing new computational methods formolecular-targeted drug design and understanding how small organic moleculesregulate their biological targets through molecular modeling. Prof. Wang haspublished over 130 scientific papers in peer-reviewed journals with a H-indexof 35. In 2012, he received the Corwin Hansch Award from the InternationalCheminformatics & QSAR Society for his outstanding contributions to thisfield. Prof. Wang now serves as an associate editor for ACS's Journal of Chemical Information and Modeling and an editorial board member for several other professional journals.
Education
1994-1999: Ph.D., College of Chemistry, Peking University, Beijing, China
1989-1994: B.S., College of Chemistry, Peking University, Beijing, China
Professional Experiences
2020–now: Professor, principal investigator, Pharmacy School, Fudan University
2005–2019: Professor, principal investigator, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, P. R. China
2001–2005: Research investigator, Department of Internal Medicine, University of Michigan Medical School, U.S.A.
2000–2001: Postdoctoral fellow, Lombardi Cancer Center, Georgetown University, Washington D.C., U.S.A.
1999-2000: Postdoctoral fellow, Department of Chemistry and Biochemistry, University of California, Los Angeles, California, U.S.A
Awards & Honors
Young Computational Chemist Award, Chinese Chemical Society (2017)
Corwin Hansch Award, Chemoinformatics & QSAR Society (2012)
Biological & Chemical Research Excellency Award, Wuxi AppTech. (2010)
SCOPUS Young Researcher Momentum Award, Pfizer & Elsevier (2010)
Sevier Young Scientist Award, Chinese Pharmaceutical Association (2009)
Memberships
Member of the Chinese Chemical Society, the Chinese Pharmaceutical Association, and the American Chemical Society.
Associate editor of Journal of Chemical Information and Modeling (ACS)
Editorial board members of ChemMedChem (Wiley), Molecular Informatics (Wiley), Journal of Chinese Pharmaceutical Sciences, & Chinese Journal of Chemistry.
Selected Publications（latest 5 yrs，<20 papers）
(1) Li, Y.; * Gao, Y. D.; Holloway, M. K,; Wang, R. X.* “Integration of Desolvation Effect into an Empirical Scoring Function”, J. Chem. Inf. Model. (ASAP) doi.org/ 10.1021/acs.jcim.9b00619.
(2) Li, Y.;* Sun, Y. P.; Song, Y. P.; Dai, D. C.; Zhao, Z. X.; Zhang, Q.; Zhong, W. G.; Hu, L. Y.; Ma, Y. L.; Li, X.;* Wang, R. X.* “Fragment-Based Computational Method for Designing GPCR Ligands”, J. Chem. Inf. Model. (ASAP) doi.org/10.1021/acs.jcim.9b00699
(3) Su, M. Y.; Feng, G. Q.; Liu, Z. H.; Li, Y.; Wang, R. X.* “Tapping on the Black Box: How is the Scoring Power of a Machine-Learning Scoring Function Depended on the Training Set?”, J. Chem. Inf. Model. 2020, 60(3), 1122-1136.
(4) Yang, Q. F.; Su, M. Y.; Li, Y.; Wang, R. X.* “Revisiting the Relationship Between Correlation Coefficient, Confidence Level, and Sample Size”, J. Chem. Inf. Model. 2019, 59(11), 4602-4612.
(5) Su, M. Y.; Yang, Q. F.; Du, Y.; Feng, G. Q.; Liu, Z. H.; Li, Y.;* Wang, R. X.* “Comparative Assessment of Scoring Functions: The CASF-2016 Update”, J. Chem. Inf. Model. 2019, 59, 895?913.
(6) Li, Y.; Su, M. Y.; Liu, Z. H.; Li, J.; Liu, J.; Han, L.; Wang, R. X.* "Assessing Protein-Ligand Interaction Scoring Functions with the CASF-2013 Benchmark", Nat. Protocol., 2018, 13, 666-680.
(7) Kong, W.-N.; Zhou, M.; Li, Q.; Fan, W.-J.; Lin, H.-X.;* Wang, R. X.* "Experimental Characterization of the Binding Affinities Between Pro-apoptotic BH3 Peptides and Anti-apoptotic Bcl-2 Proteins", ChemMedChem, 2018, 13(17), 1763-1770.
(8) Han, L.; Yang, Q.-F.; Liu, Z.-H.; Li, Y.; Wang, R. X.*, "Development of a New Benchmark for Assessing the Scoring Functions Applicable to Protein-Protein Interaction", Future Med. Chem. 2018, 10(13), 1555-1574.
(9) Liu, Z. H.; Su, M. Y.; Han, Li.; Liu, J.; Yang, Q. F.; Li, Y.;* Wang, R. X.* " Forging the Basis for Developing Protein?Ligand Interaction Scoring Functions", Acc. Chem. Res. 2017, 50(2), 302–309.
(10) Li, Y.; Zhao, Z. X.; Liu, Z. H.; Wang, R.-X.* "AutoT&T v.2: An Efficient and Versatile Tool for Lead Structure Generation and Optimization", J. Chem. Inf. Model., 2016, 56(2), 435–453.
(11) Liu; Z.-H.; Li, Y.; Han, L.; Li, J.; Liu, J.; Zhao, Z.-X.; Nie, W.; Liu, Y.-C.; Wang, R.-X.* "PDB-wide Collection of Binding Data: Current Status of the PDBbind Database", Bioinformatics, 2015, 31(3), 405-412.
(12) Liu, J.; Wang, R.-X.* "Classification of Current Scoring Functions", J. Chem. Inf. Model. 2015, 55(3),475–482.
(13) Li, Y.-L.; Qi, X.-Y.; Jiang, H.; Deng, X.-D.; Dong, Y.-P.; Ding, T. B.; Zhou, L.; Men, P.; Chu, Y.; Wang, R.-X.;* Jiang, X.-C.;* Ye, D.-Y.* "Discovery, synthesis and biological evaluation of 2-(4-(N-phenethylsulfamoyl)phenoxy)acetamides (SAPAs) as novel sphingomyelin synthase 1 inhibitors", Bioorg. Med. Chem. 2015, 23, 6173–6184.
(14) Li, Y.; Liu, Z. H.; Han, L.; Li, J.; Liu, J.; Zhao, Z. X.; Li, C. K.; Wang, R. X.* "Comparative Assessment of Scoring Functions on an Updated Benchmark: I. Compilation of the Test Set", J. Chem. Inf. Model. 2014, 54(6), 1700–1716.
(15) Li, Y.; Han, L.; Liu, Z. H.; Wang, R. X.*, "Comparative Assessment of Scoring Functions on an Updated Benchmark: II. Evaluation Methods and General Results", J. Chem. Inf. Model. 2014, 54(6), 1717–1736.
(16) Yang, C. W.; Chen, S.; Zhou, M.; Li, Y.; Li, Y. F.; Zhang, Z. X.; Liu, Z.; Ba, Q.; Li, J. Q.; Wang, H.; Yang, X. M.*, Ma, D. W.*, Wang, R. X.*, "Development of 3-Phenyl-N- (2-(3-phenylureido)ethyl)-thiophene-2-sulfonamide Compounds as Inhibitors of Antiapoptotic Bcl-2 Family Proteins", ChemMedChem, 2014, 9(7), 1436–1452.
