Areas of Focus
- Biomolecular Simulation
- Biochemical Reaction Mechanisms
- AI Methods
- Protein-Molecule Interactions
Work Experience
- 2012/03-2013/01 Research Assistant, Peking University, Shenzhen Graduate School
- 2013/02-2016/01 Postdoctoral Fellow, School of Life Sciences and Technology, Shanghai Jiao Tong University
- 2016/01-Present Assistant Researcher, School of Life Sciences and Technology, Shanghai Jiao Tong University
Academic Background & Achievements
- 2002/09-2006/07 Bachelor in Chemistry, Peking University
- 2006/09-2011/12 PhD in Physical Chemistry, Peking University
Publications
- Discovery of small molecule agonists targeting neuropeptide Y4 receptor using homology modeling and virtual screening, Ning Kang, Xiao-Lei Wang*, Yaxue Zhao*
- Regulation of ester synthesis activity of Rhizopus Chinensis lipase, Zhang Zhang, Dong Wang*, Xiao-Lei Wang, Yan Xu*
- Structural basis for the recognition of sulfur in phosphorothioated DNA, Guang Liu, Wencheng Fu, Zhenyi Zhang, Yao He, Hao Yu, Yuli Wang, Xiaolei Wang, Yi-Lei Zhao, Zixin Deng, Geng Wu*, Xinyi He*
- Theoretical analysis of oxygen diffusion in the micro-channels of quinoline oxygenase, Chao Zhou, Ting Shi, Yilei Zhao, Xiaolei Wang*
- Mechanistic Investigation on ROS Resistance of Phosphorothioated DNA, Tingting Wu, Qiang Huang, Xiao-Lei Wang, Ting Shi, Linquan Bai, Jingdan Liang, Zhijun Wang, Zixin Deng, Yi-Lei Zhao*
- Theoretical Studies on the Mechanism of Thioesterase-Catalyzed Macrocyclization in Erythromycin Biosynthesis, Xiong-Ping Chen, Ting Shi, Xiao-Lei Wang, Jitao Wang, Qihua Chen, Linquan Bai, Yi-Lei Zhao*
- Multicomponent kinetic analysis and theoretical studies on the phenolic intermediates in the oxidation of eugenol and isoeugenol catalyzed by laccase, Yan-Bing Qi, Xiao-Lei Wang, Ting Shi, Shuchang Liu, Zhen-Hao Xu, Xiqing Li, Xuling Shi, Ping Xu, Yi-Lei Zhao*
- Theoretical study on the relationship between Rp-phosphorothioation and base-step in S-DNA: based on energetic and structural analysis, Limeng Chen, Xiao-Lei Wang, Ting Shi, Tingting Wu, Zixin Deng, Yi-Lei Zhao*
- Theoretical studies of the binding-affinity and reactivity between laccase and phenolic substrates, Yanbing Qi, Jiren Zhu, Yaojin Sun, Yun Du, Jianjun Chu, Ting Shi, Yilei Zhao*, Xiaolei Wang*
- Intermediate-Assisted Multifunctional Catalysis in the Conversion of Flavin to 5,6-Dimethylbenzimidazole by BluB: A Density Functional Theory Study, Xiao-Lei Wang, Jun-Min Quan*
Awards
- 2018 Shanghai Jiao Tong University Postdoctoral Reward Fund