王瑞歌，博士，講師，基礎部有機化學教研室，畢業于吉林大學。
工作內容：教學科研
通訊地址：齊齊哈爾市文化大街42號化學與化學工程學院化工樓304室
電子郵件：wangrg716@163.com
研究領域：計算機輔助分子設計；計算生物學
招生學科：分析化學
教育及科研經歷：
2004-2008年 周口師范學院化學化工學院 本科
2008-2011年 吉林大學化學學院 碩士
2014-2020年 吉林大學化學學院 博士
2020年至今 齊齊哈爾大學化工學院 講師 碩士生導師
科研論文
1. 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 QSAR Environ. Res. 2025, 36(1), 57-77.
2. 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. Adv. Theor. Simul. 2025, 2401262.
3. 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 QSAR Environ. 2024, 35(12), 1199-1219.
4. 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, J. Mol. Liq. 2024, 403, 124848.
5. 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, Environ. Int. 2024, 190, 108926.
6. R.G. Wang, L.X. Duan, B. Zhao, L. Chen, Molecular recognition between volatile molecules and odorant binding proteins 7 by homology modeling, molecular docking and molecular dynamics simulation, J. Sci. Food Agr. 2024, 104(12), 7592-7602.
7. 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.
8. 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. Int. J. Quantum Chem 2024, 124(1), e27333.
9. L. Chen, X. Huang, Y. Li, B. Zhao, M. Liang, 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. J. Hazard. Mater. 2023,443, 130174.
10. Y.F. Li, L. Chen, Y. Sun, R.G. Wang, B. Zhao, T. Jing, Exploring the effect of surfactants on the interaction between laccase and bisphenol A by molecular docking, molecular dynamics, and energy calculations. J. Mol. Liq. 2023, 382, 121928.
11. Y.F. Li, L. Chen, J. Li, B. Zhao, T. Jing, R.G. Wang, Computational explorations of the interaction between laccase and bisphenol A: influence of surfactant and different organic solvents. SAR QSAR Environ. Res. 2023, 34(12), 963-981.
12. C. Wang, L. Chen, W.X. Tang, B. Zhao, R.G. Wang. Molecular basis of RNA recognition by TBP of HIV‐1 from multiple molecular dynamics simulations and energy predictions. J. Comput. Chem. 2023, 44(13), 1291-1299.
13. 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. J. Mol. Graph. Model. 2023, 118, 108377.
14. Y.F. Li, L. Chen, Z.S. Han, R.G. Wang, T. Jing, B. Zhao, Exploring the effects of mutations on NFAT5‐DNA binding using molecular dynamics simulations and energy calculations. Int. J. Quantum Chem. 2022, .122(21), e26980.
15. 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. Microbiol. Spectr. 2022, 10(2), e00748-21.
16. 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.
17. 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.
18. 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. Phys. Chem. Chem. Phys. 2020, 22(8), 4464-4480.
科研項目
1. 改良Fenton-MnFe2O4在漢麻脫膠中的應用與機理初探，項目主持，黑龍江省教育廳基本科研業務費，2023.01—2025.12.
2. 不同抗衡離子對陰離子表面活性劑界面性質影響的分子模擬研究，項目參與人，黑龍江省教育廳基本科研業務費，2021.01—2023.12.
3. BTB/POZ鋅指蛋白Kaiso對甲基化和非甲基化DNA序列識別機制的理論研究，項目參與人，黑龍江省教育廳基本科研業務費，2018.01—2020.12.
4. 甲型流感病毒M2蛋白的質子傳導機理及其與藥物結合的理論研究，項目參與人，黑龍江省自然科學基金，2014.07—2017.07.
專利
1.陳林, 趙冰, 王瑞歌. 一種有機化合物的制備方法及應用, 發明專利, ZL.202010359623.3, 授權日期: 2022.06.
專著或教材
1. 張秀玲, 劉召云，王瑞歌. 無機化學原理及應用研究, 電子科技出版社, 2024. 01.
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