专家人才库
李国辉 研究员;杰青

学历:博士研究生

学科:物理化学

电话:0411-84379593

邮箱:ghli@dicp.ac.cn

地址:大连市中山路457号

邮编:116023

简历介绍

    李国辉,男,博士,研究员,博士生导师。国家杰出青年获得者,享受国务院政府特殊津贴,英国皇家化学会会士,国家863、重点研发计划项目首席科学家。1994年毕业于辽宁师范大学物理系,2000年获中科院大连化物所博士学位,毕业于分子反应动力学国家重点实验室。2000年毕业后去美国留学,在美国新墨西哥大学从事分子光谱的精确量子力学计算研究工作,从2001年到2006年先后在威斯康辛大学-麦迪逊分校、哈佛大学医学院从事理论与计算生物学方面的方法学发展和应用方面的研究工作。从20063月份开始到20093月份应聘回国工作,一直在世界著名生物制药公司Biogen Idec Inc.从事计算生物学方法的发展和小分子药物以及蛋白质药物的研发工作。2009年回国后担任大连化物所研究员,现为大连化物所分子反应动力学国家重点实验室副主任、分子模拟与设计题目组组长。研究方向:(1)建立新型高精度粗粒化分子模型及高效全原子可极化力场模拟新方法;(2)解析复杂生物酶工作的微观机理。在Nature, Science, Nature Structural & Molecular Biology, Nature Plants, Nature Communication, Molecular Cell, Journal of the American Chemical Society等学术期刊上发表论文120余篇,申请发明专利10余项,授权6项。

研究方向

职务
社会任职
获奖及荣誉
 
代表论著
 1) Mechanism Studies of Functions of Biomolecules

1. Yanjing Li, Lijie Zhao, Yuebin Zhang, Ping Wu, Ying Xu, Jun Mencius, Yongxin Zheng, Xiaoman Wang, Wancheng Xu, Naizhe Huang, Xianwen Ye, Ming Lei, Pan Shi, Changlin Tian, Chao Peng, Guohui Li*, Zhijun Liu*, Shu Quan*, and Yong Chen*, Structural basis for product specificities of MLL family methyltransferases. Molecular cell 2022.

2. Chengrui Shi, Xikang Yang, Ye Liu, Hongpeng Li, Huiying Chu, Guohui Li*, and Hang Yin*, ZDHHC18 negatively regulates cGAS-mediated innate immunity through palmitoylation. EMBO Journal 2022, 41(11).

3. Jingfei Xu, Lingyun Zhao, Sijia Peng, Huiying Chu, Rui Liang, Meng Tian, Philip P. Connell, Guohui Li*, Chunlai Chen*, and Hong-Wei Wang*, Mechanisms of distinctive mismatch tolerance between Rad51 and Dmc1 in homologous recombination. Nucleic Acids Research 2021, 49(22): 13135-13149.

4. Futang Wan, Yongbo Ding, Yuebin Zhang, Zhenfang Wu, Shaobai Li, Lin Yang, Xiangyu Yan, Pengfei Lan, Guohui Li*, Jian Wu*, and Ming Lei*, Zipper head mechanism of telomere synthesis by human telomerase. Cell Research 2021, 31(12): 1275-1290.

5. Xuan Tao, Lu Zhang, Liubing Du, Ruyan Liao, Huiling Cai, Kai Lu, Zhennan Zhao, Yanxuan Xie, Pei-Hui Wang, Ji-An Pan, Yuebin Zhang, Guohui Li*, Jun Dai*, Zong-Wan Mao*, and Wei Xia*, Allosteric inhibition of SARS-CoV-2 3CL protease by colloidal bismuth subcitrate. Chemical Science 2021, 12(42): 14098-14102.

6. Huyan Meng, Guowei Wu, Xinsuo Zhao, Anhui Wang, Dekang Li, Yilun Tong, Taijie Jin, Ye Cao, Bing Shan, Shichen Hu, Ying Li, Lifeng Pan, Xiaoxu Tian, Ping Wu, Chao Peng, Junying Yuan, Guohui Li*, Li Tan*, Zhaoyin Wang*, and Ying Li*, Discovery of a cooperative mode of inhibiting RIPK1 kinase. Cell Discovery 2021, 7(1).

7. Xue Wang, Cunli Wang, Huiying Chu, Haijuan Qin, Dongdong Wang, Feifei Xu, Xuanjun Ai, Chunshan Quan, Guohui Li*, and Guangyan Qing*, Molecular chirality mediated amyloid formation on phospholipid surfaces. Chemical Science 2020, 11(28): 7369-7378.

8. Xiongjun Wang, Ruilong Liu, Wencheng Zhu, Huiying Chu, Hua Yu, Ping Wei, Xueyuan Wu, Hongwen Zhu, Hong Gao, Ji Liang, Guohui Li*, and Weiwei Yang*, UDP-glucose accelerates SNAI1mRNA decay and impairs lung cancer metastasis. Nature 2019 127:7763

9. Xiongjun Wang, Ruilong Liu, Xiujuan Qu, Hua Yu, Huiying Chu, Yajuan Zhang, Wencheng Zhu, Xueyuan Wu, Hong Gao, Bangbao Tao, Wenfeng Li, Ji Liang, Guohui Li*, and Weiwei Yang*, alpha-Ketoglutarate-Activated NF-kappa B Signaling Promotes Compensatory Glucose Uptake and Brain Tumor Development. Molecular Cell 2019, 76(1): 148-+.

10. Pengfei Lan, Ming Tan, Yuebin Zhang, Shuangshuang Niu, Juan Chen, Shaohua Shi, Shuwan Qiu, Xuejuan Wang, Xiangda Peng, Gang Cai, Hong Cheng, Jian Wu, Guohui Li*, and Ming Lei*, Structural insight into precursor tRNA processing by yeast ribonuclease P. Science 2018, 362(6415):6678

11. Juan Zhang, Guanzhen Yu, Huiying Chu, Xiongjun Wang, Lingling Xiong, Guoqing Cai, Ruilong Liu, Hong Gao, Bangbao Tao, Wenfeng Li, Guohui Li*, Ji Liang*, and Weiwei Yang*, Macrophage-Associated PGK1 Phosphorylation Promotes Aerobic Glycolysis and Tumorigenesis. Molecular Cell 2018, 71(2): 201-+.

12. Jing Fan, Bin Kuai, Guifen Wu, Xudong Wu, Binkai Chi, Lantian Wang, Ke Wang, Zhubing Shi, Heng Zhang, She Chen, Zhisong He, Siyuan Wang, Zhaocai Zhou, Guohui Li*, and Hong Cheng*, Exosome cofactor hMTR4 competes with export adaptor ALYREF to ensure balanced nuclear RNA pools for degradation and export. EMBO Journal 2017, 36(19): 2870-2886.

13. Yanjing Li, Jianming Han, Yuebin Zhang, Fang Cao, Zhijun Liu, Shuai Li, Jian Wu, Chunyi Hu, Yan Wang, Jin Shuai, Juan Chen, Liaoran Cao, Dangsheng Li, Pan Shi, Changlin Tian, Jian Zhang, Yali Dou, Guohui Li*,, Yong Chen*, and Ming Lei*, Nature 2016, 530 (7591): 447

 

2) Methodology Development

1. Qinglu Zhong, and Guohui Li*, Adaptively Iterative Multiscale Switching Simulation Strategy and Applications to Protein Folding and Structure Prediction. Journal of Physical Chemistry Letters 2021, 12(12): 3151-3162.

2. Anhui Wang, Yuebin Zhang, Huiying Chu, Chenyi Liao, Zhichao Zhang, and Guohui Li*, Higher Accuracy Achieved for Protein-Ligand Binding Pose Prediction by Elastic Network Model-Based Ensemble Docking. Journal of Chemical Information and Modeling 2020, 60(6): 2939-2950.

3. Qinglu Zhong, and Guohui Li*, Arbitrary Resolution with Two Bead Types Coarse-Grained Strategy and Applications to Protein Recognition. Journal of Physical Chemistry Letters 2020, 11(9): 3263-3270.

4. Anhui Wang, Dinglin Zhang, Yan Li, Zhichao Zhang, and Guohui Li*, Large-Scale Biomolecular Conformational Transitions Explored by a Combined Elastic Network Model and Enhanced Sampling Molecular Dynamics. Journal of Physical Chemistry Letters 2020, 11(1): 325-332.

5. Anhui Wang, Zhichao Zhang, Guohui Li*, Higher Accuracy Achieved in the Simulations of Protein Structure Refinement, Protein Folding, and Intrinsically Disordered Proteins Using Polarizable Force Fields. Journal of Physical Chemistry Letters 2018, 9(24): 7110-7116.

6. Xiangda Peng, Yuebin Zhang, Yan Li, QingLong Liu, Huiying Chu, Dinglin Zhang, Guohui Li*, Integrating Multiple Accelerated Molecular Dynamics To Improve Accuracy of Free Energy Calculations. Journal of Chemical Theory and Computation 2018, 14(3): 1216-1227.

7. Xiangda Peng, Yuebin Zhang, Huiying Chu, Yan Li, Dinglin Zhang, Liaoran Cao, and Guohui Li*, Accurate Evaluation of Ion Conductivity of the Gramicidin A Channel Using a Polarizable Force Field without Any Corrections, Journal of Chemical Theory and Computation  201612(6): 2973-2982

8. Huiying Chu, Xiangda Peng, Yan Li, Yuebin Zhang, and Guohui Li*, A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids. Molecules 2018, 23(1).

9. Xiangda Peng, Yuebin Zhang, Huiying Chu, and Guohui Li*, Free Energy Simulations with the AMOEBA Polarizable Force Field and Metadynamics on GPU Platform. Journal of Computational Chemistry 2016, 37(6): 614-622.

主页
版权所有 © 中国科学院大连化学物理研究所 备案号:辽ICP备05000861号 辽公网安备21020402000367号