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Renxiao Wang
Pharmaceutical Sciences
Fudan University
Shanghai
Language: Chinese, English
Molecular Targeted Drug Design
New Theories
New Methods
Molecular Simulation
Biological Macromolecules
Active Small Molecules
Mechanisms Of Action
Lead Compounds
New Targets
Innovative Drugs
Areas of Focus
- Research and development of new theories and methods for molecular targeted drug design
- Study of the mechanisms of action of important biological macromolecular systems or active small molecule compounds using molecular simulation techniques
- Discovery and optimization of lead compounds for new targets using molecular design techniques to develop innovative drugs
Work Experience
- 2001.09 – 2005.07 University of Michigan Medical School - Research Investigator
- 2005.08 – 2019.12 Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences - Researcher
- 2020.01 – Present Fudan University School of Pharmacy - Distinguished Researcher
Academic Background & Achievements
- 1989.09 – 1994.07 Bachelor of Science in Physical Chemistry: Peking University
- 1994.09 – 1999.07 Doctor of Science in Physical Chemistry: Peking University
- 1999.09 – 2000.08 Postdoctoral Research: University of California, Los Angeles
- 2000.09 – 2001.08 Postdoctoral Research: Georgetown University Medical Center
- Developed new theories and methods for molecular targeted drug design
- Published over 140 SCI-indexed papers with over 13,400 Google citations (H-index 46)
- Received over 40 national invention patents and software copyrights
Publications
- Discovery of Small-Molecule Autophagy Inhibitors by Disrupting the Protein-Protein Interactions Involving ATG5, Xiang, H.; Liu, R.; Zhang, X.; An, R.; Zhou, M.; Tan, C.; Li, Q.; Su, M.; Guo, C.; Zhou, L.; Li, Y.; Wang, R. X., 2023
- The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs, Qiu, X. X.; Li, N.; Yang, Q. F.; Wu, S.; Li, X. H.; Pan, X. H.; Yamamoto, S.; Zhang, X. Z.; Zeng, J. C.; Liao, J. H.; He, C. C.; Wang, R. X.; Zhao, Y. X., 2023
- HydraMap v.2: Prediction of Hydration Sites and Desolvation Energy with Refined Statistical Potentials, Li, Y.; Zhang, Z.; Wang, R. X., 2023
- PLANET: A Multi-objective Graph Neural Network Model for Protein-Ligand Binding Affinity Prediction, Zhang, X. Y.; Gao, H. T.; Wang, H. J.; Chen, Z. H.; Zhang, Z.; Chen, X. C.; Li, Y.; Qi, Y. F.; Wang, R. X., 2023
- Analysis of the Binding Sites on BAX and the Mechanism of BAX Activators Through Extensive Molecular Dynamics Simulations, Feng, G. Q.; Zhang, X. Y.; Li, Y.; Wang, R. X., 2022
- Structure-Based Optimization of 3-phenyl-N-(2-(3-phenylureido)ethyl)thiophene-2-sulfonamide Derivatives as Selective Mcl-1 Inhibitors, Li, Y.; Fan, W. J.; Gong, Q. N.; Tian, J.; Zhou, M.; Li, Q.; Uwituze, L. B.; Zhang, Z. C.; Hong, R.; Wang, R. X., 2021
- Optimization of Beclin 1-Targeting Stapled Peptides by Staple Scanning Leads to Enhanced Antiproliferative Potency in Cancer Cells, Yang, Q. F.; Qiu, X. X.; Zhang, X. Z.; Yu, Y. T.; Li, N.; Wei, X.; Feng, G. Q.; Li, Y.; Zhao, Y. X.; Wang, R. X., 2021
- Revealing the Unbinding Kinetics and Mechanism of Type I and Type II Protein Kinase Inhibitors by Local-Scaled Molecular Dynamic Simulations, Du, Y.; Wang, R. X., 2020
- Integration of Desolvation Effect into an Empirical Scoring Function, Li, Y.; Gao, Y. D.; Holloway, M. K.; Wang, R. X., 2020
- Fragment-Based Computational Method for Designing GPCR Ligands, 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., 2020
- Tapping on the Black Box: How is the Scoring Power of a Machine-Learning Scoring Function Depended on the Training Set?, Su, M. Y.; Feng, G. Q.; Liu, Z. H.; Li, Y.; Wang, R. X., 2020
- Revisiting the Relationship Between Correlation Coefficient, Confidence Level, and Sample Size, Yang, Q. F.; Su, M. Y.; Li, Y.; Wang, R. X., 2019
- Comparative Assessment of Scoring Functions: The CASF-2016 Update, Su, M. Y.; Yang, Q. F.; Du, Y.; Feng, G. Q.; Liu, Z. H.; Li, Y.; Wang, R. X., 2019
- Assessing Protein-Ligand Interaction Scoring Functions with the CASF-2013 Benchmark, Li, Y.; Su, M. Y.; Liu, Z. H.; Li, J.; Liu, J.; Han, L.; Wang, R. X., 2018
- 2-Aminoethoxydiphenylborane sensitizes anti-tumor effect of bortezomib via suppression of calcium-mediated autophagy, Qu, Y.-Q.; Gordillo-Martinez, F.; Law, B. Y. K.; Han, Y. Wu, A.-G.; Zeng, W.; Lam, W.-K.; Ho, C.; Mok, S. W. F.; He, H.-Q.; Wong, V. K. W.; Wang, R. X., 2018
- Forging the Basis for Developing Protein−Ligand Interaction Scoring Functions, Liu, Z. H.; Su, M. Y.; Han, Li.; Liu, J.; Yang, Q. F.; Li, Y.; Wang, R.-X., 2017
Awards
- WuXi AppTec 'Life Chemistry Research Award'
- Chinese Chemical Society 'Young Computational Chemist Award'
- Chinese Pharmaceutical Association 'Servier Young Medicinal Chemist Award'
- 2012 International Society for Chemical Information 'Corwin Hansch Award'
- 2017 National Natural Science Foundation of China 'National Outstanding Youth Science Fund Project'
