2024：
Wang Ziyang#, Di Yuqin#, Wen Xiangqiong#, Liu Ye#, Ye Lvlan, Zhang Xiang, Qin Jiale, Wang Youpeng, Chu Huiying, Li Guohui*, Zhang Weijing*, Wang Xiongjun*, He Weiling*. NIT2 dampens BRD1 phase separation and restrains oxidative phosphorylation to enhance chemosensitivity in gastric cancer, Science Translational Medicine, 2024, 16(774): eado8333.
Wang Keyun#, Zhang Li#, Zhang Sirui#, Liu Ye#, Mao Jiawei#, Liu Zhen#, Xu Lin#, Li Kejia, Wang Jianshu, Ma Yanni, Wang Jiayi, Li Haitao, Wang Zefeng*, Li Guohui*, Cheng Hong*, Ye Mingliang*. Metabolic labeling based methylome profiling enables functional dissection of histidine methylation in C3H1 zinc fingers, Nature Communications, 2024, 15(1): 7459.
Tang Mengyi#, Xu Mingxin#, Wang Jian#, Liu Ye#, Liang Kun, Jin Yinuo, Duan Wenzhe, Xia Shengkai, Li Guohui, Chu Huiying*, Liu Wenwen*, Wang Qi*. Brain metastasis from EGFR-Mutated non-small cell lung cancer: secretion of IL11 from astrocytes up-regulates PDL1 and promotes immune escape, Advanced Science, 2024, 11(26): 2306348.
Guangbo Liu, Shukun Liu, Xiaolei Li, Honghao Lv, He Qu, Qinghao Quan, Huasen Lu, Xuejing Cui, Xin Zhou*, Luhua Jiang*, Jieshan Qiu*, “Optimized W-d band configuration in porous sodium tungsten bronze octahedron enabling Pt-like and wide-pH hydrogen evolution”, Nano Energy, 2024, 123, 109442.
Ye Liu#, Yan Li#, Guohui Li, Anhui Wang*, Chu Huiying*. Insight of the molecular mechanism of inhibitors located at different allosteric sites regulating the activity of wild type and mutant KRAS (G12). Archives of Biochemistry and Biophysics, 2024, 760: 110137.
2023：
Liu Ye#, Li Yan#, Li Guohui*, Chu Huiying*. The molecular mechanism of Y473 phosphorylation of UGDH relieves the inhibition effect of UDP-glucose on HuR, Physical Chemistry Chemical Physics, 2023, 10.1039/d3cp00227f.
Zhu Wencheng#,Chu Huiying#, Zhang Yajuan#, Luo Tianhang#, Yu Hua#, Zhu Hongwen, Liu Ye, Gao Hong, Zhao Yun, Li Quanlin, Wang Xiongjun*, Li Guohui*, Yang Weiwei*. Fructose-1,6-bisphosphatase 1 dephosphorylates IκBα and suppresses colorectal tumorigenesis. Cell Research, 2023,33(3):245-257.
Li Yan#, Liu Ye#, Yang Boya, Li Guohui*, Chu Huiying*, Polarizable Atomic Multipole-Based Force Field for Cholesterol, Journal of Biomolecular Structure & Dynamics, 2023
Zhang D, Gong L, Weng J, Li Y, Wang A, Li G. RNA Folding Based on 5 Beads Model and Multiscale Simulation[J]. Interdisciplinary Sciences-Computational Life Sciences, 2023，15,393-404
Wenjing Zhu, He Qu, Ming Qin, Hao Dong*, Xin Zhou*, “Molecular engineering of novel dithiophene-fused hole-transporting materials for highly efficient perovskite solar cells”, Dyes and Pigments, 2023, 219, 111635.
Zhou Ju#, Wang Anhui#, Song Yinlong, Liu Nan, Wang Jia, Li Yan, Liang Xin, Li Guohui, Chu Huiying*, Wang Hongwei*. Structural insights into the mechanism of GTP initiation of microtubule assembly. Nature Communications, 2023, 14: 5980, DOI : 10.1038/s41467-023-41615-w
Yijing Liu#, Rankun Zhang#, Le Lin#, Yichao Wang, Changping Liu, Rentao Mu*, and Qiang Fu*. Direct Observation of Accelerating Hydrogen Spillover via Surface-Lattice-Confinement Effect[J]. Nat. Commun. 2023, 14, (1), 613.
Yi, J.; Qi,B.; Yin, J.; Li, R; Chen, X.; Hu, J.; Li, G.; Zhang, S.; Zhang. Y.; Yang, M., Molecular basis for the catalytic mechanism of human neutral sphingomyelinases 1. Nature communication 2023, 14, 7755.
Sun, Y.; Zhang, Y.; Zhao, T.; Luan, Y.; Wang, Y.; Yang, C.; Shen, B.; Huang, X.; Li, G.; Zhao, S.; Zhao, G.-P.; Wang, Q., Acetylation coordinates the crosstalk between carbon metabolism and ammonium assimilation in Salmonella enterica. The EMBO journal 2023, 42 (13), e112333-e112333.
2022：
Liu Ye#, Li Yan#, Wu Sijin, Li Guohui*, Chu Huiying*. Synergistic effect of conformational changes in phosphoglycerate kinase 1 product release, Journal of Biomolecular Structure and Dynamics, 2022, 10.1080/07391102.2022.2152870.
Liao Chenyi#, Liu Ye#, Zhang Dinglin, Li Guohui*. Multiscale simulations of large complexes in conjunction with cryo-EM analysis, Current Opinion in Structural Biology, 2022, 72: 27-32.
Shi Chengrui#, Yang Xikang#, Liu Ye#, Li Hongpeng, Chu Huiying, Li Guohui*, Yin Hang*. ZDHHC18 negatively regulates cGAS‐mediated innate immunity through palmitoylation, The EMBO Journal, 2022, 41(11): e109272.
Wang Guiyan, Fu Ting, Ren Hong, Guo Qiuhan, Mou Xiaohong, Li Yan, Li Guohui, K-means find density peaks in molecular conformation clustering, Chinese Journal of Chemical Physics. 2022, 35(1): 353-368.
Zhang D, Li Y, Zhong Q, Wang A, Weng J, Gong L, et al. Ribonucleic Acid Folding Prediction Based on Iterative Multiscale Simulation[J]. J Phys Chem Lett, 2022, 13: 9957-9966.
Yumeng Fo, Xin Zhou*, “A theoretical study on tetragonal BaTiO3 modified by surface co-doping for photocatalytic overall water splitting”, Int. J. Hydrogen Energ., 2022, 47, 19073-19085.
Zhiyu Yi#, Le Lin#, Yuan Chang, Xuda Luo, Junfeng Gao, Rentao Mu, Yanxiao Ning*, Qiang Fu*, and Xinhe Bao*. Dynamic Transformation between Bilayer Islands and Dinuclear Clusters of Cr Oxide on Au(111) through Environment and Interface Effects[J]. Proc. Natl. Acad. Sci. U.S.A. 2022, 119, (22), e2120716119.
Xiaoxiao Lu; Lulu Li; Xiaoren Zhang; Bina Fu; Xin Xu; Dong H. Zhang ; Dynamical Effects of SN2 Reactivity Suppression by Microsolvation: Dynamics Simulations of the F–(H2O) + CH3I Reaction on a 21-Dimensional Potential Energy Surface, The Journal of Physical Chemistry Letters, 2022, 13(23): 5253-5259
Xiaoxiao Lu; Chenyao Shang; Lulu Li; Rongjun Chen; Bina Fu; Xin Xu; Dong H. Zhang ; Unexpected steric hindrance failure in the gas phase F− + (CH3)3CI SN2 reaction, Nature Communications, 2022, 13(1): 4427
Tong, T.; Zhou, Y.; Fei, F.; Zhou, X.; Guo, Z.; Wang, S.; Zhang, J.; Zhang, P.; Cai, T.; Li, G.; Zhang, Y.; Wang, J.; Xie, C., The rational design of iron-sulfur cluster binding site for prolonged stability in magnetoreceptor MagR. Frontiers in Molecular Biosciences 2022, 9 (November), 1-11.
Li, Y.; Zhao, L.; Zhang, Y.; Wu, P.; Xu, Y.; Mencius, J.; Zheng, Y.; Wang, X.; Xu, W.; Huang, N.; Ye, X.; Lei, M.; Shi, P.; Tian, C.; Peng, C.; Li, G.; Liu, Z.; Quan, S.; Chen, Y., Structural basis for product specificities of MLL family methyltransferases. Molecular Cell 2022, 82 (20), 3810-3825.e8.
2021：
Peijun Xu, Xiaohong Mou, Qiuhan Guo, Ting Fu, Hong Ren, Guiyan Wang, Yan Li, Guohui Li, Coarse-grained molecular dynamics study based on TorchMD, Chinese Journal of Chemical Physics, 2021,34(1), 957-969.
Qi Yuan, Ren Hong, Li Hong, Zhang Dinglin, Cui Hongqiang, Weng Junben, Li Guohui, Wang Guiyan, Li Yan, Interaction energy prediction of organic molecules using deep tensor neural network, Chinese Journal of Chemical Physics, 2021, 34(1): 112-124.
Yanxia Ma, Yumeng Fo, Miaomiao Wang, Xixi Liang, Hao Dong*, Xin Zhou*, “Exploring the mechanism of Ta3N5/KTaO3 photocatalyst for overall water splitting by first-principles calculations”, J. Energ. Chem., 2021, 56, 353-364.
Baojun Ma*, Yuying Dang, Dekang Li, Xiaoyan Wang, Keying Lin, Wei Wang, Xin Zhou*, Yifan Chen, Tengfeng Xie, Xianwen Zhang, Hongxian Han*, “A Yin-Yang hybrid co-catalyst (CoOx-Mo2N) for photocatalytic overall water splitting”, Appl. Catal. B-Environ., 2021, 298, 120491.
Xu Jingfei#, Zhao Lingyun#, Peng Sijia#, Chu Huiying#, Liang Rui, Tian Meng, Connell Philip P., Li Guohui*, Chen Chunlai*, Wang Hong-Wei*. Mechanisms of distinctive mismatch tolerance between Rad51 and Dmc1 in homologous recombination. Nucleic Acids Research 2021, 49(22): 13135-13149.
Le Lin, Zhenhua Zeng*, Qiang Fu*, and Xinhe Bao. Achieving Flexible Large-Scale Reactivity Tuning by Controlling Phase, Thickness and Support of Two-Dimensional ZnO[J]. Chem. Sci. 2021, 12, (46), 15284-15290.
Houfu Lv#, Le Lin#, Xiaomin Zhang, Rongtan Li, Yuefeng Song, Hiroaki Matsumoto, Na Ta, Chaobin Zeng, Qiang Fu, Guoxiong Wang*, and Xinhe Bao. Promoting Exsolution of RuFe Alloy Nanoparticles on Sr2Fe1.4Ru0.1Mo0.5O6−δ via Repeated Redox Manipulations for CO2 electrolysis[J]. Nat. Commun. 2021, 12, (1), 5665.
Wang, W. J.; Mu, X.; Tan, C. P.; Wang, Y. J.; Zhang, Y.; Li, G.; Mao, Z. W., Induction and Monitoring of DNA Phase Separation in Living Cells by a Light-Switching Ruthenium Complex. Journal of the American Chemical Society 2021, 143 (30), 11370-11381.
Wang, S.; Lin, C. D.; Li, Y.; Liu, Z. Y.; Wang, J. L.; Zhang, Y. H.; Yan, Z. J.; Zhang, Y. B.; Li, G. H.; Chen, J. F., Distinct chemokines selectively induce HIV-1 gp120-integrin α4β7 binding via triggering conformer-specific activation of α4β7. Signal Transduction and Targeted Therapy 2021, 6 (1), 1-4.
Wang, L.; Mu, X.; Li, W.; Xu, Q.; Xu, P.; Zhang, L.; Zhang, Y.; Wu, G., Structural, mechanistic, and functional insights into an arthrobacter nicotinovorans molybdenum hydroxylase involved in nicotine degradation. Molecules 2021, 26 (14)
Wan, F.; Ding, Y.; Zhang, Y.; Wu, Z.; Li, S.; Yang, L.; Yan, X.; Lan, P.; Li, G.; Wu, J.; Lei, M., Zipper head mechanism of telomere synthesis by human telomerase. Cell Research 2021, 31 (12), 1275-1290.
Tao, X.; Zhang, L.; Du, L.; Liao, R.; Cai, H.; Lu, K.; Zhao, Z.; Xie, Y.; Wang, P. H.; Pan, J. A.; Zhang, Y.; Li, G.; Dai, J.; Mao, Z. W.; Xia, W., Allosteric inhibition of SARS-CoV-2 3CL protease by colloidal bismuth subcitrate. Chemical Science 2021, 12 (42), 14098-14102.
Lin, C. D.; Li, Y.; Zhang, Y. B.; Liu, Z. Y.; Mu, X.; Gu, C.; Liu, J.; Li, Y.; Li, G. H.; Chen, J. F., Ceftazidime is a potential drug to inhibit SARS-CoV-2 infection in vitro by blocking spike protein–ACE2 interaction. Signal Transduction and Targeted Therapy 2021, 6 (1).
2020：
Liu Ye#, Zhu Jingxuan, Guo Xiaoqing, Huang Tianci, Han Jiarui, Gao Jianjiong, Xu Dong*, Han Weiwei*. How oncogenic mutations activate human MAP kinase 1 (MEK1): a molecular dynamics simulation study, Journal of Biomolecular Structure and Dynamics, 2020, 38(13): 3942-3958.
Aphrothiti J. Hanrahan#, Brooke E. Sylvester, Matthew T. Chang, Arijh Elzein, Gao Jianjiong, Han Weiwei, Liu Ye, Xu Dong, Sizhi P. Gao; Alexander N. Gorelick, Alexis M. Jones, Amber J. Kiliti, Moriah H. Nissan, Clare A. Nimura, Abigail N. Poteshman, Yao Zhan, Gao Yijun, Hu Wenhuo, Hannah C. Wise, Elena I. Gavrila, Alexander N. Shoushtari, Shakuntala Tiwari, Agnes Viale, Omar Abdel-Wahab, Taha Merghoub, Michael F. Berger, Neal Rosen, Barry S. Taylor, David B. Solit*. Leveraging Systematic Functional Analysis to Benchmark an In Silico Framework Distinguishes Driver from Passenger MEK Mutants in Cancer, Cancer Research, 2020, 80(19):4233-4243.
Yanxia Ma, Miaomiao Wang, Xin Zhou*, “First-principles investigation of β-Ge3N4 loaded with RuO2 cocatalyst for photocatalytic overall water splitting”, J. Energ. Chem., 2020, 44, 24-32.
Lu Zhongyi#, Fu Ting#, Li Tianyi, Liu Yang, Zhang Siyu, Li Jinquan, Dai Junbiao, Koonin Eugene V., Li Guohui, Chu Huiying*, Li Meng*. Coevolution of Eukaryote-like Vps4 and ESCRT-III Subunits in the Asgard Archaea. Mbio 2020, 11(3).
Fang Fei#, Zhao Qun#, Chu Huiying#, Liu Mingwei, Zhao Baofeng, Liang Zhen, Zhang Lihua, Li Guohui, Wang Liming, Qin Jun, Zhang Yukui. Molecular Dynamics Simulation-assisted Ionic Liquid Screening for Deep Coverage Proteome Analysis. Molecular & Cellular Proteomics 2020, 19(10): 1724-1737.
Wang Xue#, Wang Cunli#, Chu Huiying#, Qin Haijuan, Wang Dongdong, Xu Feifei, Ai Xuanjun, Quan Chunshan, Li Guohui, Qing Guangyan. Molecular chirality mediated amyloid formation on phospholipid surfaces. Chemical Science 2020, 11(28): 7369-7378.
Wang Kang-Nan#, Qi Guobin#, Chu Huiying#, Chao Xi-Juan, Liu Liu-Yi, Li Guohui*, Cao Qian*, Mao Zong-Wan*, Liu Bin*. Probing cell membrane damage using a molecular rotor probe with membrane-to-nucleus translocation. Materials Horizons 2020, 7(12): 3226-3233.
Xiaoxiao Lu; Bina Fu; Dong H. Zhang ; Dynamics and kinetics of the OH + HO2 → H2O + O2 (1Δg) reaction on a global full-dimensional singlet-state potential energy surface, Physical Chemistry Chemical Physics, 2020, 22(45): 26330-26339
Zhou, H.; Zhang, Y.; Li, T.; Tan, H.; Li, G.; Yin, H., Distinct Interaction of Lytic Polysaccharide Monooxygenase with Cellulose Revealed by Computational and Biochemical Studies. Journal of Physical Chemistry Letters 2020, 11 (10), 3987-3992.
