1) Methodology Development for Molecular Modeling and Simulations
2) Mechanism Studies of Functions of Biomolecules
3) Molecular Discovery and Design
2021-present: Editorial advisory board member, Biopolymers, Wiley
2020-present: Fellow, Royal Society of Chemistry
2019-Present: Editorial Advisory Board Member, JPC Letters, ACS
2017-Present: Committee Member of the Theoretical and Computational Chemistry Division of the Chinese Society of Chemistry
2017-Present: Committee Member of the Theoretical and Computational Biology Division of the Chinese Society of Biophysics
2016: National Distinguished Young Scholar, National Natural Science Foundation of China
2015-Present: Editorial Board Member of Scientific Reports
2014-Present: Committee Member of the Biophysical Chemistry Division of the Chinese Society of Chemistry
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 2016, 12(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.
