董昊

男， 南京大学匡亚明学院， 教授/研究员/教授级高工或同等级别

学习/工作经历

1999 - 2003，工学学士，生物工程，南京理工大学
2003 - 2008，理学博士，物理化学，南京大学
2009 - 2011，博士后，佛罗里达州立大学
2012 - 2014，博士后，天普大学
2015 - 至今，教授（博导，2018年），南京大学

研究领域和兴趣

复杂体系的化学物理

主要业绩

本人主要从事与生命相关复杂体系的化学物理相关基础研究，致力于发展多尺度模拟的理论计算方法并结合机器学习，研究复杂体系的结构与性质。相关研究涉及化学、物理与生物的前沿交叉领域，为从微观层面理解复杂体系的静态结构和动态演变过程，搭建从微观到宏观、从物理学基本规律到复杂生命过程之间的桥梁，为发现新反应、新机制、新功能提供理论依据。

代表成果

(1) The Intrinsic Fluorescence of Peptide Self-Assemblies Across pH Levels, Xiaoyu Wang#, Yuqin Yang#, Haokun Yang#, & Hao Dong*, Angew. Chem. Int. Ed., 2025, 64, e202420567.
(2) Δ-EGNN Method Accelerates the Construction of Machine Learning Potential, Jun Huo, & Hao Dong*, J. Phys. Chem. Lett., 2025, 16, 2080.
(3) Retrosynthesis Zero: Self-Improving Global Synthesis Planning Using Reinforcement Learning, Jiasheng Guo#, Chenning Yu#, Kenan Li#, Yijian Zhang, Guoqiang Wang, Shuhua Li*, & Hao Dong*, J. Chem. Theory Comput., 2024, 20, 4921.
(4) Computation-Driven Rational Design of Self-Assembled Short Peptides for Catalytic Hydrogen Production, Yuqin Yang#, Xiaoyu Wang#, Xialian Wu#, Shuyi Guo, Haokun Yang, Junxia Lu*, & Hao Dong*, J. Am. Chem. Soc., 2024, 146, 13488.
(5) Collective Motions of Fish Originate from Balanced Local Perceptual Interactions and Individual Stochastics, Mingjie Jiang#, Anyu Zhou#, Runping Chen, Yuqin Yang, Hao Dong*, & Wei Wang*, Phy. Rev. E 2023, 107, 024411.
(6) Self-assembled Peptide Nano-superstructure towards Enzyme Mimicking Hydrolysis, Yu Chen#, Yuqin Yang#, Asuka A. Orrn#, Pandeeswar Makam, Boris Redko, Elvira Haimov, Yannan Wang, Linda J. W. Shimon, Sigal Rencus-Lazar, Meiting Ju, Phanourios Tamamis*, Hao Dong*, & Ehud Gazit*, Angew. Chem. Int. Ed. 2021, 60, 17164.
(7) A Two-ended DAta-Driven Accelerated Sampling Method for Exploring the Transition Pathways between Two Known States of Protein, Yigao Yuan, Qiang Zhu, Ruiheng Song, Jing Ma, & Hao Dong*, J. Chem. Theory Comput. 2020, 16, 4631.
(8) Towards a Model for Activation of Orai Channel, Hao Dong*#, Yiming Zhang#, Ruiheng Song, Jingjie Xu, Yigao Yuan, Jindou Liu, Jia Li, Sisi Zheng, Tiantian Liu, Benzhuo Lu*, Youjun Wang*, & Michael L. Klein*, iScience 2019, 16, 356.
(9) Principles Governing Catalytic Activity of Self-assembled Short Peptides, Ruiheng Song#, Xialian Wu#, Bin Xue, Yuqin Yang, Wenmao Huang, Guixiang Zeng, Jian Wang, Wenfei Li, Yi Cao, Wei Wang*, Junxia Lu*, & Hao Dong*, J. Am. Chem. Soc. 2019, 141, 223.

*以上信息由高级会员个人更新和维护。