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Faculty

Computational chemistry

Location: Home > Faculty > Computational chemistry > Content

Dr.Yundong Wu

Position:Academician of the Chinese Academy of Sciences, PhD supervisor, Professor

Tel:+86-755-2603-2700

Email:wuyd@pkusz.edu.cn

Homepage of the research group:http://web.pkusz.edu.cn/wu/

Educational Background

1986 Doctorate in theoretical organic chemistry, University of Pittsburgh

1981 Bachelor of physical chemistry, Lanzhou University


Work Experience

2016.03-2019.03 Dean of Peking University Shenzhen Graduate School; Professor, School of chemistry, Peking University; Professor, School of chemical biology and biotechnology, Peking University

2010.09-Present Chair Professor, College of Chemistry, Peking University; Chair Professor, School of Chemical Biology & Biotechnology, PKUSZ

2007.07-2010.09 Chair professor, Department of chemistry, Hong Kong University of science and technology

2001.07 - 2010.09 Professor, Department of Chemistry, HKUST

1992.07-2007.06 Assistant Professor \ Associate professor \ Professor, Department of chemistry, Hong Kong University of science and technology

1988.06-1992.06 Senior researcher, Department of chemistry, University of Los Angeles, California

1988.01-1988.05 Visiting scholar, Institute of organic chemistry, University of Erlangen, Germany

1987.01-1987.12 Postdoctoral Fellow, Department of chemistry, University of Los Angeles, California


Awards and Honors

1) Academician of the Department of chemistry, Chinese Academy of Sciences, 2005;

2) Member of the Hong Kong Science Association, 2011;

3) Wangkuancheng exchange Scholar Award, 1998;

4) National Natural Science Award, 1999, 2013;

5) Croucher Advanced Research Award, 2000;

6) National Natural Science Foundation of China outstanding young scholars award, 2002-2006;

7) Thomson Reuters frontier research award, 2008;

8) Hong Kong University of science and Technology School of science outstanding education award, 2009;

9) Anhui Provincial Natural Science Award, 2012;

10) Robert S. Mulliken lecture, University of Georgia, 2013;

11) Fukui medal, Asia Pacific Association of theoretical and computational chemists, 2014;

12) Achievement award of physical organic chemistry, Chinese chemical society, 2015;

13) Humboldt Research Award, 2016.


Research Interests

1) Study on chemical reaction mechanism and stereochemistry;

2) Develop accurate protein force fields for protein molecular dynamics simulations;

3) Drug design based on protein - protein interaction


Representative Achievements

1) Qiang Feng,Shijia Li,Zhiyang Li,Qiaolin Yan,Xiangfeng Lin,Lijuan Song*,Xinhao Zhang*,Yun-Dong Wu*,and Jianwei Sun*,Ru-Catalyzed Hydroboration of Ynones Leads to a Nontraditional Mode of Reactivity.J. Am. Chem. Soc.2022, 144(32)14846–14855

2) Xinhao Zhang*, Lung Wa Chung*,Yun-Dong Wu*,New Mechanistic Insights on the Selectivity of Transition-Metal-Catalyzed Organic Reactions: The Role of Computational Chemistry.Acc. Chem. Res.2016,49(6), 1302-1310.

3) Gui-Juan Cheng, Xinhao Zhang, Lung Wa Chung, Liping Xu,Yun-Dong Wu*,Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions.J. Am. Chem. Soc.2015, 137(5),1706-1725. (Invited Perspective)

4) Yang Wang, Xue-Jia Hu, Xu-Dong Zou, Xian-Hui Wu, Zhi-Qiang Ye*, Yun-Dong Wu*,WDSPdb: A Database for WD40-repeat Proteins.Nucl. Acids. Res.2015,43(D1),D339-D344.

5) Fan Jiang*, Yun-Dong Wu*,Folding of Fourteen Small Proteins with a Residue-Specific Force Field and Replica-Exchange Molecular Dynamics.J. Am. Chem. Soc.2014,136(27),9536-9539.

6) Yun-Fang Yang,Gui-Juan Cheng,Peng Liu,Dasheng Leow,Tian-Yu Sun,Ping Chen,Xinhao Zhang,Jin-Quan Yu*,Yun-Dong Wu*,and K. N. Houk*,Palladium-Catalyzed Meta-Selective C–H Bond Activation with a Nitrile-Containing Template: Computational Study on Mechanism and Origins of Selectivity. J. Am. Chem. Soc.2014, 136(1), 344-355.

Contact Us

Contact Person: Ms. Lu

Tel: +86-755-2603-3049

Fax: +86-755-2603-3174

EMAIL: luyanan@pku.edu.cn

Address: Peking University Shenzhen Graduate School Building F 203, Xili University Town, Nanshan District, Shenzhen (518055)

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