教育经历

1996-2001  美国加州理工学院，化学专业，博士

1993-1996  中国科学院化学研究所，化学专业，硕士

工作经历

2013-至今   北京大学生物医学前沿创新中心研究员

2010-至今   北京大学化学与分子工程学院教授

2004-2010  美国德克萨斯A&M大学，助理教授

2002-2004  美国哈佛大学，博士后

2001-2002  美国加州理工学院，博士后

研究简介

高毅勤专注于系统性基础理论研究，带领团队在溶液理论、分子模拟方法发展、DNA和蛋白质结构形成的分子机理等方向做出了多项国际前沿的成果，成功解释臭氧生成反应中的同位素效应，阐述了蛋白质马达能量转化的分子机制，发展了高效的分子模拟取样方法，解释了Hofmeister序列对水溶液的表面张力、蛋白质溶解度和液态水的动力学性质的影响。已在Science, Nature, Cell, PNAS, JACS等杂志发表SCI论文160余篇。

高毅勤团队目前致力于两个方面的研究：一是发展新一代分子模拟方法，结合深度学习，预测生物大分子的结构，理解生物体系中的构效关系，基于功能进行分子设计；二是将计算生物学应用于高通量测序及高精度成像结果的分析和建模，从物理化学的角度理解生命过程。

主要荣誉

  曾获华为昇腾MVP称号，2016年亚太理论与计算化学家协会Pople Medal，2014年Promising Scientist Prize of CMOA、日本化学会Distinguished Lectureship Award等多个奖项

代表性成果

1.Yu-Peng Huang, Yijie Xia, Lijiang Yang, Jiachen Wei, Yi Isaac Yang, Yi Qin Gao*. SPONGE: A GPU-Accelerated Molecular Dynamics Package with Enhanced Sampling and AI-Driven Algorithms. Chinese Journal of Chemistry, 2022, 40(1): 160-168.

2. Yue Xue, Ying Yang, Hao Tian, Hui Quan, Sirui Liu, Ling Zhang, Lu Yang, Haichuan Zhu, Hong Wu, Yi Qin Gao*. Computational characterization of domain-segregated 3D chromatin structure and segmented DNA methylation status in carcinogenesis. Molecular Oncology, 2022, 16(3): 699-716.

3. Maodong Li, Jun Zhang, Haiyang Niu, Yaokun Lei, Xu Han, Lijiang Yang, Zhiqiang Ye, Yi Isacc Yang*, Yi Qin Gao*. Phase Transition between Crystalline Variants of Ordinary Ice. Journal of Physical Chemistry Letters, 2022, 13: 8601-8606.

4. Jun Zhang*, Sirui Liu, Mengyun Chen, Haotian Chu,  Min Wang, Zidong Wang, Jialiang Yu, Ningxi Ni, Fan Yu, Diqing Chen, Yi Yang, Boxin Xue, Lijiang Yang, Yuan Liu, Yi Qin Gao*. Few-Shot Learning of Accurate Folding Landscape for Protein Structure Prediction. arXiv, 2022: 2208.09652 v1 [cs.LG].

5. Sirui Liu*, Jun Zhang, Haotian Chu, Min Wang, Boxin Xue, Ningxi Ni, Jialiang Yu, Yuhao Xie, Zhenyu Chen, Mengyun Chen, Yuan Liu, Piya Patra, Fan Xu, Jie Chen, Zidong Wang, Lijiang Yang, Fan Yu*, Lei Chen*, Yi Qin Gao*. PSP: Million-level Protein Sequence Dataset for Protein Structure Prediction. arXiv, 2022: 2206.12240v1 [q-bio.BM].

6. Jun Zhang, Yaokun Lei, Zhen Zhang, Xu Han, Maodong Li, Lijiang Yang, Yi Issac Yang*, Yi Qin Gao*. Deep reinforcement learning of transition states. Physical Chemistry Chemical Physics, 2021, 23: 6888-6895.

7. Menghao Liu, Jun Zhang, Chenxu Zhu, Xiaoxue Zhang, Weide Xiao, Yongchang Yan, Lulu Liu, Hu Zeng, Yi Qin Gao*, Chengqi Yi*. DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes. Nature Communications, 2021, 12: 4108.

8. Sirui Liu, Ling Zhang, Hui Quan, Hao Tian, Luming Meng, Lijiang Yang, Huajie Feng, Yi Qin Gao*. From 1D sequence to 3D chromatin dynamics and cellular functions: a phase separation perspective. Nucleic Acids Research, 2018, 46(18): 9367-9383.

9. Jinbo Peng, Duanyun Cao, Zhili He, Jing Guo, Prokop Hapala, Runze Ma, Bowei Cheng, Ji Chen, Wen Jun Xie, Xin-Zheng Li, Pavel Jelinek, Li-Mei Xu*, Yi Qin Gao*, En-Ge Wang*, Ying Jiang*. The effect of hydration number on the interfacial transport of sodium ions, Nature, 2018, 7707(557): 701.