王瑞歌，博士，副教授，基礎(chǔ)部有機化學(xué)教研室，畢業(yè)于吉林大學(xué)。
工作內(nèi)容：教學(xué)科研
通訊地址：齊齊哈爾市文化大街42號化學(xué)與化學(xué)工程學(xué)院化工樓304室
電子郵件：wangrg716@163.com
研究領(lǐng)域：人工智能輔助藥物設(shè)計
招生學(xué)科：分析化學(xué)
教育及科研經(jīng)歷：
2008-2011年 吉林大學(xué)化學(xué)學(xué)院 碩士
2011-2014年 上海藥明康德 藥物分析
2014-2020年 吉林大學(xué)化學(xué)學(xué)院 博士
2022年至今 齊齊哈爾大學(xué)化工學(xué)院 碩士生導(dǎo)師
科研論文
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.
科研項目
1. 改良Fenton-MnFe2O4在漢麻脫膠中的應(yīng)用與機理初探，項目主持，黑龍江省教育廳基本科研業(yè)務(wù)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(zhì)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(yè)務(wù)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(yè)務(wù)費，2018.01—2020.12.
4. 甲型流感病毒M2蛋白的質(zhì)子傳導(dǎo)機理及其與藥物結(jié)合的理論研究，項目參與人，黑龍江省自然科學(xué)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(yīng)用, 發(fā)明專利, ZL.202010359623.3, 授權(quán)日期: 2022.06.
專著或教材
1. 張秀玲, 劉召云，王瑞歌. 無機化學(xué)原理及應(yīng)用研究, 電子科技出版社, 2024. 01.
黑公網(wǎng)安備 23020302000009