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Peking University
中文 | Peking University
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Contact

​Email: yanglj@pku.edu.cn
Office: C309 Chemistry Building
Research Group: Yi Qin Gao Group (https://www.chem.pku.edu.cn/gaoyq/)

Lijiang Yang
Research Associate Professor of Theoretical Chemistry

Biography

  • Research Associate Professor, College of Chemistry and Molecular Engineering, Peking University (2010-now)

  • Postdoctoral Research Fellow, Texas A&M University(2005-2009)

  • Postdoctoral Research Fellow, University of California, Irvine (2003-2005)

  • Ph.D., Nankai University (2002)

  • B.S., Nankai University (1993)


Research Interests

  • Theoretical studies of biological/chemical systems through molecular dynamics simulations

  • Design and application of enhanced sampling molecular simulation methods

  • Development of high-performance molecular simulation software


Awards

  • 2024 Outstanding Labor Union Official (Peking University)

  • 2023 AI Dean's SummitBest Innovative Collaboration Award (Huawei Cloud Computing Technology Co., Ltd.)

  • 2023 Outstanding Labor Union Activist (Peking University)

  • 2021 Outstanding Labor Union Official (Peking University)

  • 2020 Concord Award (College of Chemistry and Molecular Engineering, Peking University)

  • 2017 Tanglixin Excellent Cultural Liaison Teacher Award (Peking University)

  • 2017 Excellence in Moral Education (Peking University)

  • 2017 Advanced Individual in Safety Management (Peking University)

  • 2016 Outstanding Labor Union Official (Peking University)

  • 2016 Outstanding Military Training Instructor (Peking University)

  • 2015 Best Poster Award (The 15th International Congress of Quantum Chemistry)


Selected Publications

  1. Wang, J. P.; Gao, H.; Yang*, L. J.; Gao*, Y. Q., Role of Engineered Iron-haem Enzyme in Reactivity and Stereoselectivity of Intermolecular Benzylic C-H Bond Amination. ACS Catalysis2020, 10 (9), 5318-5327.

  2. Mondal+, M.; Yang+, L. J.; Cai, Z. C.; Patra, P.; Gao*, Y. Q., A perspective on the molecular simulation of DNA from structural and functional aspects. Chemical Science2021, 12 (15), 5390-5409. (Co-first author)

  3. Huang+, Y. P.; Xia+, Y. J.; Yang+, L. J.; Wei, J. C.; Yang, Y. I.; Gao*, Y. Q., SPONGE: A GPU-Accelerated Molecular Dynamics Package with Enhanced Sampling and AI-Driven Algorithms. Chinese Journal of Chemistry2022, 40 (1), 160-168. (Co-first author)

  4. Li+, J. R.; Du+, P. C.; Yang+, L. J.; Zhang, J.; Song, C.; Chen, D. Y.; Song, Y. Z.; Ding, N.; Hua, M. X.; Han, K.; Song, R.; Xie, W.; Chen, Z. H.; Wang, X. B.; Liu, J. Y.; Xu, Y. L.; Gao, G. J.; Wang, Q.; Pu, L.; Di, L.; Li, J.; Yue, J. L.; Han, J. Y.; Zhao, X.; Yan, Y. H.; Yu, F. T.; Wu, A. R.; Zhang, F. J.; Gao, Y. Q.; Huang, Y. Y.; Wang, J. B.; Zeng, H.; Chen, C., Two-step fitness selection for intra-host variations in SARS-CoV-2. Cell Reports2022, 38 (2), 110205. (Co-first author)

  5. Jing, X. D.; Zhu, Z.; Wang, S.; Xin, J. Q.; Zhou, H. S.; Wang, L. T.; Tong, H. M.; Cui, C. H.; Zhang, Y. F.; Sun, F.; Yang*, L. J.; Gao*, Y. Q.; Lu*, H., Nonionic Water-Soluble Oligo(ethylene glycol)-Modified Polypeptides with a β-Sheet Conformation. Biomacromolecules 2024, 25 (8), 5343-5351.

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