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王晓雷

助理研究员

  • 电话:+86-21-34204095
  • 邮箱:thundawner@sjtu.edu.cn
  • 地址:上海市闵行区东川路800号ebet叶杰全楼

学术经历

  • 2002/09-2006/07,北京大学,化学与分子工程学院,化学专业,本科
  • 2006/09-2011/12,北京大学,化学与分子工程学院,物理化学专业,博士
  • 2012/03-2013/01,北京大学,深圳研究生院/化学生物学与生物技术学院,研究助理
  • 2013/02-2016/01,ebet,ebet,博士后
  • 2016/01-至今,ebet,ebet,助理研究员

研究方向

生物大分子模拟

通过模拟计算理解蛋白-分子相互作用
 

生物反应机理

酶催化机制的计算研究

人工智能方法

人工智能方法在组学大数据、结构生物学中的运用

代表论著

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    Ning Kang, Xiao-Lei Wang*, Yaxue Zhao*, Discovery of small molecule agonists targeting neuropeptide Y4 receptor using homology modeling and virtual screening. Chem Biol Drug Des., 2019, 00: 1–9.

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    Zhang Zhang, Dong Wang*, Xiao-Lei Wang, Yan Xu*, Regulation of ester synthesis activity of Rhizopus Chinensis lipase. Chem. J. Chinese U., 2019, 40: 747–754.

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    Guang Liu, Wencheng Fu, Zhenyi Zhang, Yao He, Hao Yu, Yuli Wang, Xiaolei Wang, Yi-Lei Zhao, Zixin Deng, Geng Wu*, Xinyi He*, Structural basis for the recognition of sulfur in phosphorothioated DNA. Nat. Commun., 2018, 9: 4689.

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    Chao Zhou, Ting Shi, Yilei Zhao, Xiaolei Wang*, Theoretical analysis of oxygen diffusion in the micro-channels of quinoline oxygenase. Chem. J. Chinese U., 2017, 38: 1813–1821.

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    Tingting Wu, Qiang Huang, Xiao-Lei Wang, Ting Shi, Linquan Bai, Jingdan Liang, Zhijun Wang, Zixin Deng, Yi-Lei Zhao*, Mechanistic Investigation on ROS Resistance of Phosphorothioated DNA. Sci. Rep., 2017, 7: 42823.

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    Xiong-Ping Chen#, Ting Shi#, Xiao-Lei Wang, Jitao Wang, Qihua Chen, Linquan Bai, Yi-Lei Zhao*, Theoretical Studies on the Mechanism of Thioesterase-Catalyzed Macrocyclization in Erythromycin Biosynthesis. ACS Catal. 2016, 6: 4369–4378.

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    Yan-Bing Qi#, Xiao-Lei Wang#, Ting Shi, Shuchang Liu, Zhen-Hao Xu, Xiqing Li, Xuling Shi, Ping Xu, Yi-Lei Zhao*, Multicomponent kinetic analysis and theoretical studies on the phenolic intermediates in the oxidation of eugenol and isoeugenol catalyzed by laccase. Phys. Chem. Chem. Phys., 2015, 17: 29597–29607.

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    Limeng Chen, Xiao-Lei Wang, Ting Shi, Tingting Wu, Zixin Deng, Yi-Lei Zhao*, Theoretical study on the relationship between Rp-phosphorothioation and base-step in S-DNA: based on energetic and structural analysis. J. Phys. Chem. B, 2015, 119: 474–481.

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    Yanbing Qi, Jiren Zhu, Yaojin Sun, Yun Du, Jianjun Chu, Ting Shi, Yilei Zhao*, Xiaolei Wang*, Theoretical studies of the binding-affinity and reactivity between laccase and phenolic substrates. Chem. J. Chinese U., 2014, 35: 776–783.

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    Xiao-Lei Wang, Jun-Min Quan*, Intermediate-Assisted Multifunctional Catalysis in the Conversion of Flavin to 5,6-Dimethylbenzimidazole by BluB: A Density Functional Theory Study. J. Am. Chem. Soc., 2011, 133: 4079–4091.

获奖情况

  • 2018年ebet博士后奖励基金

教学情况

  • BI475-生物大数据分析  讲授深度学习相关内容
  • ebet转化医学交叉研究基金,ZH2018QNA30,基于环境气候大数据的儿童门急诊就医预测模型的研究,2019/01-2021/12,10万元,在研
  • ebet转化医学交叉研究基金,ZH2018QNA63,基于转录组测序的结直肠癌FOLFOX化疗反应性人工智能预测算法构建,2019/01-2021/12,5万元,在研
  • 上海市卫生计生委智慧医疗专项研究项目,2018ZHYL0223,整合临床信息与组学信息的智能精准医学临床决策支持系统的研究和应用,2018/07-2021/06,14.625万元,在研
  • 横向项目,蛋白酶性能的计算机模拟研究,2018/01-2020/12,10万元,在研
  • 国家自然科学基金青年基金,21303101,非辅酶依赖型喹啉加氧酶HOD催化机制的理论计算和实验研究,2014/01-2016/12,24万元,已结题
  • 中国博士后科学基金特别资助,2014T70413,黄素依赖型胸苷合成酶亚甲基转移机制的计算与实验研究,2014/10-2016/10,15万元,已结题
  • 中国博士后科学基金面上资助,2014M561463,胸苷合成酶FDTS中黄素辅助甲基转移的分子机理,2014/10-2015/12,5万元,已结题

承担项目

学生培养

  • 在读学生