Professor | Renxiao Wang | Asia Growth Partners

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Name	Renxiao Wang
Contact Information	wangrx@fudan.edu.cn
Language ability	Chinese, English
Province	Shanghai

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Name

Renxiao Wang

Contact Information

wangrx@fudan.edu.cn

Language ability

Chinese, English

Province

Shanghai

University/Lab Affiliation and Title	Fudan University
Faculty	Pharmaceutical Sciences
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
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
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'

University/Lab Affiliation and Title

Fudan University

Faculty

Pharmaceutical Sciences

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

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

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'

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
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

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

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

Molecular Targeted Drug Design New Theories New Methods Molecular Simulation Biological Macromolecules Active Small Molecules Mechanisms Of Action Lead Compounds New Targets Innovative Drugs

Yan Niu - Peking University

Wenteng Chen - Zhejiang University

Xiaowei Wang - Peking University

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