王瑞歌，博士，副教授，基础部有机化学教研室，毕业于吉林大学。

工作内容：教学科研

通讯地址：齐齐哈尔市文化大街42号化学与化学工程学院化工楼304室

电子邮件：wangrg716@163.com

研究领域：人工智能辅助药物设计

招生学科：分析化学

教育及科研经历：

2008-2011年 吉林大学化学学院 硕士

2011-2014年 上海药明康德 药物分析

2014-2020年 吉林大学化学学院 博士

2022年至今 齐齐哈尔大学化工学院 硕士生导师

科研论文

1. Y.H. Zhao, L. Chen, R.G. Wang, Decoding the impact of Surfactants on the interaction between Lipase TpS9 and pNPP through Molecular Docking and MD Simulations. Journal of Environmental Chemical Engineering, 2026, 122100.

2. R.G. Wang, Q.X. Bai, L. Chen. Study on the Binding Selectivity of Three Pyridinone Analogs With BRD4 Using Multiple Molecular Dynamics Simulations. Advanced Theory and Simulations, 2026, 9(3), e01827.

3. J.W. Yang, L. Chen, B. Zhao, R.G. Wang, Molecular docking and molecular dynamics simulations revealed interaction mechanism of acetylcholinesterase with organophosphorus pesticides and their alternatives. Archives of Toxicology, 2025, 99(6), 2433-2446.

4. Y.H. Zhao, L. Chen, B. Zhao, R.G. Wang, Deciphering surfactants modulation of PersiLipase1-p-NPL interaction via MD simulations. Journal of Environmental Chemical Engineering, 2025, 13(5), 117839.

5. S.Wang, R.G. Wang, J.W. Yang, L. Xu, B. Zhao, L. Chen, Molecular mechanism of interactions of SPIN1 with novel inhibitors through molecular docking and molecular dynamics simulations. SAR and QSAR in Environmental Research, 2025, 36(1), 57-77.

6. Q.X. Bai, R.G. Wang, S.L. Qin, B. Zhao, L. Chen, Binding Selectivity of Inhibitors to BRD2 Uncovered by Molecular Docking and Molecular Dynamics Simulations. Advanced Theory and Simulations, 2025, 2401262.

7. W. Chen, L Sang, R.G. Wang, D.H. Zou, L. Chen, Selective inhibition mechanism of three inhibitors to BRD4 uncovered by molecular docking and molecular dynamics simulations. SAR and QSAR in Environmental Research, 2024, 35(12), 1199-1219.

8. X.N. Yao, L. Chen, B. Zhao, R.G. Wang, Theoretical study on the influence of three different surfactants on the binding of laccase with bisphenol A. Journal of Molecular Liquids, 2024, 403, 124848.

9. R.G. Wang, Y.Q. Lin, B. Zhao, L. Chen, Insight into the molecular recognition of human and polar bear pregnane X receptor by three organic pollutants using molecular docking and MD simulations, Environment International, 2024, 190, 108926.

10. R.G. Wang, B. Zhao, L. Chen, Molecular recognition between volatile molecules and odorant binding proteins 7 by homology modeling, molecular docking and molecular dynamics simulation, Journal of Science of Food and Agriculture, 2024, 104(12), 7592-7602.

11. F. Bu, L. Chen, Y. Sun, B. Zhao, R.G. Wang, Insight into the Binding Interaction between PEDCs and hERRγ Utilizing Molecular Docking and Molecular Dynamics Simulations, Molecules, 2024, 29(14), 3256.

12. J.W. Yang, L. Chen, X. Huang, B. Zhao, R.G. Wang. Binding interactions of EDCs to human estrogen‐related receptor gamma deciphered by multiple molecular dynamics and energy calculations. International Journal of Quantum Chemistry, 2024, 124(1), e27333.

13. L. Chen, X. Huang, Y. Li, B. Zhao, R. G. Wang. Structural and energetic basis of interaction between human estrogen-related receptor γ and environmental endocrine disruptors from multiple molecular dynamics simulations and free energy predictions. Journal of Hazardous Materials, 2023,443, 130174.

14. Y.F. Li, L. Chen, R.G. Wang. Exploring the effect of surfactants on the interaction between laccase and bisphenol A by molecular docking, molecular dynamics, and energy calculations. Journal of Molecular Liquids, 2023, 382, 121928.

15. Y.F. Li, L. Chen, R.G. Wang, Computational explorations of the interaction between laccase and bisphenol A: influence of surfactant and different organic solvents. SAR and QSAR in Environmental Research, 2023, 34(12), 963-981.

16. C. Wang, L. Chen, B. Zhao, R.G. Wang. Molecular basis of RNA recognition by TBP of HIV-1 from multiple molecular dynamics simulations and energy predictions. Journal of Computational Chemistry, 2023, 44(13), 1291-1299.

17. R.G. Wang, H. Sun, W. Chen, B. Zhao, L. Chen, Molecular basis of ssDNA recognition by RBM45 protein of neurodegenerative disease from multiple MD simulations and energy predictions. Journal of Molecular Graphics and Modelling, 2023, 118, 108377.

18. Y.F. Li, L. Chen, Z.S. Han, R.G. Wang. Exploring the effects of mutations on NFAT5‐DNA binding using molecular dynamics simulations and energy calculations. International Journal of Quantum Chemistry,2022, .122(21), e26980.

19. R.G. Wang, Q.C. Zheng, Multiple molecular dynamics simulations and energy analysis unravel the dynamic properties and binding mechanism of mutants HIV-1 protease with DRV and CA-p2. Microbiology Spectrum, 2022, 10(2), e00748-21.

20. R.G. Wang, Q.C. Zheng, Multiple molecular dynamics simulations and free-energy predictions uncover the susceptibility of variants of HIV-1 protease against inhibitors darunavir and KNI-1657. Langmuir 2021, 37(49), 14407-14418.

21. R.G. Wang, Q.C. Zheng, Multiple molecular dynamics simulations of the inhibitor GRL-02031 complex with wild type and mutant HIV-1 protease reveal the binding and drug-resistance mechanism. Langmuir 2020, 36(46), 13817-13832.

22. R.G. Wang, H.X. Zhang, Q.C. Zheng, Revealing the binding and drug resistance mechanism of amprenavir, indinavir, ritonavir, and nelfinavir complexed with HIV-1 protease due to double mutations G48T/L89M by molecular dynamics simulations and free energy analyses. Physical Chemistry Chemical Physics, 2020, 22(8), 4464-4480.

科研项目

1. 改良Fenton-MnFe₂O₄在汉麻脱胶中的应用与机理初探，项目主持，黑龙江省教育厅基本科研业务费，2023.01—2025.12.

2. 不同抗衡离子对阴离子表面活性剂界面性质影响的分子模拟研究，项目参与人，黑龙江省教育厅基本科研业务费，2021.01—2023.12.

3. BTB/POZ锌指蛋白Kaiso对甲基化和非甲基化DNA序列识别机制的理论研究，项目参与人，黑龙江省教育厅基本科研业务费，2018.01—2020.12.

4. 甲型流感病毒M2蛋白的质子传导机理及其与药物结合的理论研究，项目参与人，黑龙江省自然科学基金，2014.07—2017.07.

专利

1.陈林, 赵冰, 王瑞歌. 一种有机化合物的制备方法及应用, 发明专利, ZL.202010359623.3, 授权日期: 2022.06.

专著或教材

1. 张秀玲, 刘召云，王瑞歌. 无机化学原理及应用研究, 电子科技出版社, 2024. 01.