https://orcid.org/0000-0003-0901-441X
https://publons.com/researcher/4020068/geng-dong/
50. Jia Liu, Lirui Lin*, Li-Yan Xu, En-Min Li*, Geng Dong*, The Effects of Inhibitor Chivosazole A on Actin Interacting with Profilin: A Theoretical Study, Advanced Theory and Simulations, 2024, DOI: https://doi.org/10.1002/adts.202400533
49. Wang, Y., Lin, L.*, Xu, LY., Li EM*, Dong G.*. Reaction Mechanism of Actin ATP Hydrolysis Studied by QM/MM Calculations. Chem. Res. Chin. Univ. (2024). https://doi.org/10.1007/s40242-024-4089-2
48. 林李锐 林凯, 邹海鹰, 许丽艳*, 李恩民*, 东庚*，赖氨酰氧化酶LOXL2稳定性的理论计算研究，中国生物化学与分子生物学报，2024, 40 (5) ， 685-695
47. Li DJ#, Cheng YW#, Pan JM#, Guo ZC, Wang SH, Huang QF, Nie PJ, Shi WQ, Xu XE, Wen B, Zhong JL, Zhang ZD, Wu ZY, Zhao H, Liao LD, Wu JY, Zhang K*, Dong G*, Li EM*, Xu LY*. KAT8/SIRT7-mediated Fascin-K41 acetylation/deacetylation regulates tumor metastasis in esophageal squamous cell carcinoma. J Pathol. 2024 Feb 27. doi: 10.1002/path.6261.
46. Zekai Cai, Rong Hu, Zijie Xiao, Junyi Feng, Xianshao Zou, Guanzhao Wen, Geng Dong, Wei Zhang*, Charge photogeneration dynamics in non-fullerene polymer solar cells with fluorinated and non-fluorinated acceptors, J. Chem. Phys. 160, 074702 (2024)
45. Yiwen Wang, Lirui Lin, Li‐Yan Xu*, En‐Min Li*, Geng Dong* Conformation Changes Associated with the Formation and Activation of Lysine Tyrosylquinone of LOXL2 Studied by Metadynamics Simulation, Advanced Theory and Simulations, 2024, DOI: 10.1002/adts.202300859
44. Yiwen Wang, Li-Yan Xu, En-min Li*, and Geng Dong* The effects of metal ions and nucleotides on the conformation of actin. 2024, Journal of Computational Biophysics and Chemistry, https://doi.org/10.1142/S2737416524500017
43. Ng, Tsz Kin, Jie Ji, Qingping Liu, Yao Yao, Wen-Ying Wang, Yingjie Cao, Chong-Bo Chen, Jian-Wei Lin, Geng Dong, Ling-Ping Cen, Chukai Huang and Mingzhi Zhang, 2024. "Evaluation of Myocilin Variant Protein Structures Modeled by AlphaFold2" Biomolecules 14, no. 1: 14. https://doi.org/10.3390/biom14010014
42. Ling-Ping Cen, Tsz Kin Ng, Jie Ji, Jian-Wei Lin, Yao Yao, Rucui Yang, Geng Dong, Yingjie Cao, Chongbo Chen, Shi-Qi Yao, Wen-Ying Wang, Zijing Huang, Kunliang Qiu, Chi Pui Pang, Qingping Liu, Mingzhi Zhang, Artificial Intelligence-based database for prediction of protein structure and their alterations in ocular diseases, Database, Volume 2023, 2023, baad083, https://doi.org/10.1093/database/baad083
41. Changzhen Fu, Meng-Lin Xiang, Shaolang Chen, Geng Dong, Zibo Liu, Chong-Bo Chen, Jiajian Liang, Yingjie Cao, Mingzhi Zhang*, and Qingping Liu*, Molecular Drug Simulation and Experimental Validation of the CD36 Receptor Competitively Binding to Long-Chain Fatty Acids by 7-Ketocholesteryl-9-carboxynonanoate, ACS Omega 2023, 8, 31, 28277–28289
40. Chang Liang, Xiaopei Zhang, Weifeng Liu, Xingfu Song, Shuying Sun, Dongju Fu, Geng Dong, Meiling Wang, Yonghui Bai, Xuguang Liu, Thermo-responsive ion imprinted polymer on the surface of magnetic carbon nanospheres for recognizing and capturing low-concentration lithium ion, 2023, Minerals Engineering, 201, 108210,
39. Jinmei Pan, Liangdong Wang, Li-Yan Xu*, En-Min Li*, Geng Dong*, Prediction of The Binding Mode of NP-G2-044 Targeting Fascin and Its Drug Resistance Mutations (2023) advanced theory simulation, 10 Octorber 2023, https://doi.org/10.1002/adts.202300427
38. Mingrong Bei, Shijia Hao, Kai Lin, Qiuyang Chen, Yujie Cai, Xing Zhao, Leiming Jiang, Lirui Lin, Geng Dong, Jianzhen Xu*, Splicing factor TRA2A contributes to esophageal cancer progression via a noncanonical role in lncRNA m6A methylation, (2023) , Cancer Science , https://doi.org/10.1111/cas.15870
37. Xiaodong Wu , Dajia Li, Yang Chen, Liangdong Wang, Li-Yan Xu*, En-Min Li* and Geng Dong*, Fascin- F-actin interaction studied by molecular dynamics simulation and protein network analysis (2023), Journal of Biomolecular Structure and Dynamics, https://doi.org/10.1080/07391102.2023.2199083
36. Chen Y, He LX, Chen JL, Xu X, Wang JJ, Zhan XH, Jiao JW, Dong G, Li EM, Xu LY. L2Δ13, a splicing isoform of lysyl oxidase-like 2, causes adipose tissue loss via the gut microbiota and lipid metabolism. iScience. 2022 Aug 15;25(9):104894.
35. Li X, Li L, Wu X, Wen B, Lin W, Cao Y, Xie L, Zhang H, Dong G, Li E, Xu L, Cheng Y. Anti-tumour effects of a macrolide analog F806 in oesophageal squamous cell carcinoma cells by targeting and promoting GLUT1 autolysosomal degradation. FEBS J. 2022 Nov;289(21):6782-6798.
34. Zhihong Zhao, Xiaojun Zhang, Xiaolei Zhang, Yan Cheng, Lihua Chen, Zhiwei Shen, Beibei Chen, Hongzhi Wang, Yue Chen, Wentao Xuan, Zerui Zhuang, Xinhui Zheng, Yiqun Geng, Geng Dong, Jitian Guan, Yan Lin, and Renhua Wu*, Amide Proton Transfer-Weighted Imaging Detects Hippocampal Proteostasis Disturbance Induced by Sleep Deprivation at 7.0 T MRI (2022), ACS Chem. Neurosci., https://doi.org/10.1021/acschemneuro.2c00494
33. Junyi Feng, Rong Hu, Jianjun Jiang, Zekai Cai, Shusheng Pan, Xianshao Zou*, Geng Dong, Ningjiu Zhao*, and Wei Zhang*, Aggregation-Induced Emission in a Polymeric Photovoltaic Donor Material (2022), J. Phys. Chem. C, https://doi.org/10.1021/acs.jpcc.2c06848
32. Xiaodong Wu, Li-Yan Xu*, En-Min Li*, Geng Dong*, Molecular dynamics simulation study on the structures of fascin mutants (2022) , Journal of Molecular Recognition, https://doi.org/10.1002/jmr.2998
31. Xiaodong Wu, Li-Yan Xu*, En-Min Li*, Geng Dong*, Application of Molecular Dynamics Simulation in Biomedicine (2022) , Chemical Biology & Drug Design, 99, 789– 800, https://doi.org/10.1111/cbdd.14038
30. Zhi-Da Zhang, Bing Wen, Da-Jia Li, Dan-Xia Deng, Xiao-Dong Wu, Yin-We Cheng, Lian-Di Liao, Lin Long, Geng Dong*, Li-Yan Xu*, En-Min Li*, AKT Serine/Threonine Kinase 2-mediated phosphorylation of Fascin Threonine 403 regulates esophageal cancer progression (2022), International Journal of Biochemistry and Cell Biology https://doi.org/10.1016/j.biocel.2022.106188
29. Lei Ma, Zewei Zhao, Xuemin Guo, Jin Li, Lin Xu, Wenjie Mei, Geng Dong, Zhixiong Zhong,* Zhonghan Yang* Tanshinone IIA and its derivative activate thermogenesis in adipocytes and induce “beiging” of white adipose tissue (2022), Molecular and Cellular Endocrinology 544, 111557
28.Ping Shang, Geng Dong*, Xuan-Feng Jiang*, Hydrogen bonds promoted formation of Eu(III)-based host-guest complex and luminescence properties. (2022). Inorganica Chimica Acta, 530, 120676
27. Lirui Lin, Haiying Zou, Wenjin Li, Li-Yan Xu*, En-Min Li*, Geng Dong* Redox Potentials of Disulfide Bonds in LOXL2 Studied by Nonequilibrium Alchemical Simulation (2021)Front. Chem., 9:797036 DOI:10.3389/fchem.2021.797036
26. Lirui Lin, Kai Lin, Xiaodong Wu, Jia Liu, Yinwei Cheng, Li-Yan Xu*, En-Min Li*, Geng Dong*, Potential Inhibitors of Fascin From A Database of Marine Natural Products: A Virtual Screening and Molecular Dynamics Study. (2021). Frontiers in Chemistry, 9:719949. https://doi.org/10.3389/fchem.2021.719949
25. Xiaodong Wu, Bing Wen, Lirui Lin, Wenqi Shi, Dajia Li, Yinwei Cheng, Li-Yan Xu,*, En-Min Li*, Geng Dong*, New insights into the function of Fascin in actin bundling: A combined theoretical and experimental study. (2021). International Journal of Biochemistry and Cell Biology 139, 106056
24. Guanzhao Wen, Xianshao Zou, Rong Hu, Jun Peng, Zhifeng Chen, Xiaochuan He, Geng Dong* and Wei Zhang*, Ground- and excited-state characteristics inphotovoltaic polymer N2200. (2021). RSC Advances, 11, 20191
23. Chunwen Zheng, Xiaodong Wu, Ruijie Zeng, Lirui Lin, Liyan Xu, Enmin Li and Geng Dong*, Computational Prediction of Hot Spots and Binding Site of Inhibitor NSC23766 on Rac1 Binding With Tiam1. (2021). Frontiers in Chemistry, 8, 625437. DOI: 10.3389/fchem.2020.625437
22. Chen-Lin Luo, Chu-Xing Hu, Ping Shang, Guan-Zhao Wen, Jia-Jun Zhu, Ya-Hui Xuan, Bang-Lian Xia, Yu-Chen Liu, Zi-Hao Jiang, Geng Dong, Wei Zhang, Liu-Cheng Gui, Xuan-Feng Jiang, Synthesis of heteroleptic phosphine–copper(i) complexes: fluorescence sensing and catalytic properties (2021). New Journal of Chemistry, 45, 8910-8917
21. Wen, G., Hu, R., Su, X., Chen, Z., Zhang, C., Peng, J., Zou, X., He, X., Dong, G. and Zhang, W., (2021). Excited-State Properties of Y-series Small Molecule Semiconductors. Dyes and Pigments, 192, 109431.
20. Dong, G.*, Lin, L.R., Xu, L. Y., Li, E. M. (2020) Reaction mechanism of lysyl oxidase-like 2 (LOXL2) studied by computational methods. Journal of Inorganic Biochemistry, 211, 111204
19. Jafari, S., Ryde, U., Fouda, A. E. A., Alavi, F. S., Dong, G., & Irani, M. (2020). Quantum Mechanics/Molecular Mechanics Study of the Reaction Mechanism of Glyoxalase I. Inorganic Chemistry, 59(4), 2594-2603.
18. Larsson, E. D., Dong, G., Veryazov, V., Ryde, U., & Hedegård, E. D. (2020). Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes?. Dalton Transactions, 49(5), 1501-1512.
17. Zou, X., Wen, G., Hu, R., Dong, G., Zhang, C., Zhang, W., Huang, H. & Dang, W. (2020). An Insight into the Excitation States of Small Molecular Semiconductor Y6. Molecules, 25(18), 4118.
16. Ma, M., Ji, Q., Yin, L., Lin, K., Wen, G., Xu, Y., Zhang N., Dong, G., Yu, L., Zhang, W., & Xu, X. (2020). Core unit engineering of star-shaped acceptor polymers for all-polymer solar cells. Solar Energy, 207, 199-208.
15. Dong, G., Quan ManhPhung，Kristine Perloot, & Ryde, U. (2018) Reaction mechanism of [NiFe] hydrogenase studied by computational methods. Inorganic Chemistry, 57, 15289-15298
14. Dong, G., & Ryde, U. (2018) Reaction mechanism of formate dehydrogenase studied by computational methods. JBIC Journal of Biological Inorganic Chemistry, 23,1243-1254
13. Dong, G., Ryde, U., Jensen, H. J. A. & Hedegård, E. D. (2018) Exploration of H2 binding to the [NiFe] hydrogenase active site with multiconfigurational density functional theory. Physical Chemistry Chemical Physics, 20, 794-801.
12. Dong, G.*, Cao, L. & Ryde, U. (2018) Insight into the reaction mechanism of lipoyl synthase: A QM/MM study. JBIC Journal of Biological Inorganic Chemistry, 23, 221-229.
11. Dong, G., Phung, Q. M., Hallaert, S. D., Pierloot, K., & Ryde, U. (2017). H2 binding to the active site of [NiFe] hydrogenase studied by multiconfigurational and coupled-cluster methods. Physical Chemistry Chemical Physics, 19, 10590-10601.
10. Dong, G., & Ryde, U. (2017). Effect of the protein ligand in DMSO reductase studied by computational methods. Journal of Inorganic Biochemistry, 171, 45-51.
9. Dong, G., * & Ryde, U. (2016). O2 Activation in Salicylate 1, 2-Dioxygenase: A QM/MM Study Reveals the Role of His162. Inorganic Chemistry, 55, 11727-11735.
8. Ignjatović, M. M., Caldararu, O., Dong, G., Muñoz-Gutierrez, C., Adasme- Carreño, F., & Ryde, U. (2016). Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations. Journal of Computer-Aided Molecular Design, 30, 707-730.
7. Wang, B., Lu, J., Dubey, K. D., Dong, G., Lai, W., & Shaik, S. (2016). How do Enzymes Utilize Reactive OH Radicals? Lessons from Nonheme HppE and Fenton Systems. Journal of the American Chemical Society, 138, 8489-8496.
6. Dong, G., Lu, J., & Lai, W. (2016). Insights into the mechanism of aromatic ring cleavage of noncatecholic compound 2-aminophenol by aminophenol dioxygenase: a quantum mechanics/molecular mechanics study. ACS Catalysis, 6, 3796-3803.
5. Dong, G., & Ryde, U. (2016). Protonation states of intermediates in the reaction mechanism of [NiFe] hydrogenase studied by computational methods. JBIC Journal of Biological Inorganic Chemistry, 21, 383-394.
4. Cao, L., Dong, G., & Lai, W. (2015). Reaction Mechanism of Cobalt-Substituted Homoprotocatechuate 2, 3-Dioxygenase: A QM/MM Study. The Journal of Physical Chemistry B, 119, 4608-4616.
3. Dong, G., & Lai, W. (2014). Reaction mechanism of homoprotocatechuate 2, 3- dioxygenase with 4-nitrocatechol: Implications for the role of substrate. The Journal of Physical Chemistry B, 118, 1791-1798.
2. Dong, G., Shaik, S., & Lai, W. (2013). Oxygen activation by homoprotocatechuate 2, 3-dioxygenase: a QM/MM study reveals the key intermediates in the activation cycle. Chemical Science, 4, 3624-3635.
1. Lai, W., Cao, R., Dong, G., Shaik, S., Yao, J., & Chen, H. (2012). Why Is Cobalt the Best Transition Metal in Transition-Metal Hangman Corroles for O–O Bond Formation during Water Oxidation? The journal of physical chemistry letters, 3, 2315-2319.
1. Ryde, U., Dong, G., Li, J., Feldt, M., & Mata, R. A. (2016). Computational Studies of Molybdenum and Tungsten Enzymes. Molybdenum and Tungsten Enzymes: Spectroscopic and Theoretical Investigations, 275-321. (book)
基金项目
1. 国家自然科学基金青年基金项目，项目名称：肿瘤中赖氨酰氧化酶LOXL2反应机理及其分子靶点的理论研究 。项目批准号：21907063，直接费用：25.00万元，项目起止年月：2020年01月至 2022年 12月
2. 助“百千万工程”-智能计算赋能医学2024年广东省研究生暑期学校，项目批准号:2024SQXX_021, 直接费用：6万元