论文著作：
1. Yang, J.;† Shen, Y.;† Sun, Y.; Xian, J.; Long, Y.; Li, G.,* Ir Nanoparticles Anchored on Metal-Organic Frameworks for Efficient Overall Water Splitting under pH-Universal Conditions. Angew. Chem. Int. Ed. 2023, e202302220-e202302220.
2. Tong, L.; Lin, Y.; Kou, X.; Shen, Y.; Shen, Y.;* Huang, S.*; Zhu, F.; Chen, G.*; Ouyang, G., Pore-Environment-Dependent Photoresponsive Oxidase-Like Activity in Hydrogen-Bonded Organic Frameworks. Angew. Chem. Int. Ed. 2023.
3. Huang, Y.; Dai, H.; Moonshiram, D.; Li, Z.; Luo, Z.-M.; Zhang, J.-H.; Yang, W.; Shen, Y.;* Wang, J.-W.;* Ouyang, G.,* Impaired conjugation boosts CO2 electroreduction by Ni(ii) macrocyclic catalysts immobilized on carbon nanotubes. J. Mater. Chem. A 2023, 11 (6), 2969-2978.
4. Yan, H.; Shen, M.; Shen, Y.; Wang, X.-D.; Lin, W.; Pan, J.; He, J.; Ye, Y.-X.; Yang, X.; Zhu, F.; Xu, J.; He, J.; Ouyang, G., Spontaneous exciton dissociation in organic photocatalyst under ambient conditions for highly efficient synthesis of hydrogen peroxide. Proc. Natl, Acad. Sci. USA 2022, 119 (22).
5. Peng, X.; Du, M.; Shen, Y.; Ye, Y.-X.; Kong, X.; Xu, J.; Ouyang, G., Identifying a selective oligopeptide clamp in the gas phase. Chem. Comm. 2022, 58 (84), 11867-11870.
6. Lai, Z.; Shen, M.; Shen, Y.; Ye, Y.-X.; Zhu, F.; Xu, J.; Ouyang, G., Hydrogen bond networks in gas-phase complex anions. Rsc Adv. 2022, 12 (45), 29137-29142.
7. Ye, Y.-X.; Pan, J.; Shen, Y.; Shen, M.; Yan, H.; He, J.; Yang, X.; Zhu, F.; Xu, J.; He, J.; Ouyang, G., A solar-to-chemical conversion efficiency up to 0.26% achieved in ambient conditions. Proc. Natl, Acad. Sci. USA 2021, 118 (46).
8. Shen, M.; Gong, X.; Huang, S.; Shen, Y.; Ye, Y.-X.; Xu, J.; Ouyang, G., Noncovalently Tagged Gas Phase Complex Ions for Screening Unknown Contaminant Metabolites in Plants. Analy. Chem. 2021, 93 (45), 14929-14933.
9. Chen, G.;† Huang, S.;† Shen, Y.; Kou, X.; Ma, X.; Huang, S.; Tong, Q.; Ma, K.; Chen, W.; Wang, P.; Shen, J.; Zhu, F.; Ouyang, G., Protein-directed, hydrogen-bonded biohybrid framework. Chem 2021, 7 (10), 2722-2742.
10. Jin, C.; Liang, F.; Wang, J.; Wang, L.; Liu, J.; Liao, X.; Rees, T. W.; Yuan, B.; Wang, H.; Shen, Y.;* Pei, Z.;* Ji, L.; Chao, H.,* Rational Design of Cyclometalated Iridium(III) Complexes for Three-Photon Phosphorescence Bioimaging. Angew. Chem. Int. Ed. 2020, 59 (37), 15987-15991.
11. Lin, W.; Jiang, R.;* Wu, J.; Wei, S.; Yin, L.; Xiao, X.; Hu, S.; Shen, Y.;* Ouyang, G., Sorption properties of hydrophobic organic chemicals to micro-sized polystyrene particles. Sci. Total Environ. 2019, 690, 565-572.
12. Lin, W.; Jiang, R.; Shen, Y.; Xiong, Y.; Hu, S.; Xu, J.; Ouyang, G., Effect of dissolved organic matter on pre-equilibrium passive sampling: A predictive QSAR modeling study. Sci. Total Environ. 2018, 635, 53-59.
13. Huang, S.; Zheng, J.; Yang, Q.; Chen, G.; Xu, J.; Shen, Y.; Zhang, Y.; Ouyang, G., High-Efficiency, Matrix Interference-Free, General Applicable Probes for Bile Acids Extraction and Detection. Adv. Sci. 2018, 5 (12).
14. Xu, C.-X.; Zhang, X.; Zhou, Y.-W.; Wang, H.; Cao, Q.; Shen, Y.; Ji, L.-N.; Mao, Z.-W.; Qin, P. Z., A Nitroxide-Tagged Platinum(II) Complex Enables the Identification of a DNA G-Quadruplex Binding Mode. Chem. Eur. J. 2016, 22 (10), 3405-3413.
15. Wu, J.; Wen, S.; Zhou, Y.; Chao, H.; Shen, Y.,* Human Ferrochelatase: Insights for the Mechanism of Ferrous Iron Approaching Protoporphyrin IX by QM/MM and QTCP Free Energy Studies. J. Chem. Inf. Model. 2016, 56 (12), 2421-2433.
16. Zheng, J.; Liang, Y.; Liu, S.; Ding, Y.; Shen, Y.; Luan, T.; Zhu, F.; Jiang, R.; Wu, D.; Ouyang, G., Ordered mesoporous polymers in situ coated on a stainless steel wire for a highly sensitive solid phase microextraction fibre. Nanoscale 2015, 7 (27), 11720-11726.
17. Wu, J.; Wang, Y.; Shen, Y.,* Molecular docking and QSAR analysis on maleimide derivatives selective inhibition against human monoglyceride lipase based on various modeling methods and conformations. Chemometr. Intell. Lab. 2014, 131, 22-30.
18. Wang, Y.; Wu, J.; Ju, J.; Shen, Y.,* Investigation by MD simulation of the key residues related to substrate-binding and heme-release in human ferrochelatase. J. Mol. Model. 2013, 19 (6), 2509-2518.
19. Wang, Y.; Shen, Y.,* Is it possible for Fe2+ to approach protoporphyrin IX from the side of Tyr-13 in Bacillus subtilis ferrochelatase? An answer from QM/MM study. J. Mol. Model. 2013, 19 (2), 963-971.
20. Gan, J.; Lu, X.; Wu, J.; Xie, S.; Zhai, T.; Yu, M.; Zhang, Z.; Mao, Y.; Wang, S. C. I.; Shen, Y.; Tong, Y., Oxygen vacancies promoting photoelectrochemical performance of In2O3 nanocubes. Sci. Rep. 2013, 3.
21. Wu, J.; Mei, J.; Wen, S.; Liao, S.; Chen, J.; Shen, Y.,* A Self-Adaptive Genetic Algorithm-Artificial Neural Network Algorithm With Leave-One-Out Cross Validation for Descriptor Selection in QSAR Study. J. Comput. Chem. 2010, 31 (10), 1956-1968.
22. Qian, L.; Liao, S.-Y.; Huang, Z.-L.; Shen, Y.;* Zheng, K.-C., Theoretical studies on pyrimidine substituent derivatives as dual inhibitors of AP-1 and NF-kappa B. J. Mol. Model. 2010, 16 (6), 1139-1150.
23. Wang, Y.; Shen, Y.;* Ryde, U., QM/MM study of the insertion of metal ion into protoporphyrin IX by ferrochelatase. J. Inorg. Biochem. 2009, 103 (12), 1680-1686.
24. Qian, L.; Lu, H.-L.; Liao, S.-Y.; Miao, T.-F.; Shen, Y*.; Zheng, K.-C., 3D-QSAR and docking studies of novel quinazoline analogues as oral inhibitors towards AP-1and NF-kappa B. J. Theor. Comput. Chem. 2009, 8 (3), 373-384.
25. Qian, L.; Shen, Y.; Chen, J.-C.; Wang, Y.-X.; Wu, X.-T.; Chen, T.-J.; Zheng, K.-C.,* 3D-QSAR and docking studies of quinazoline derivatives with the inhibitory activity toward NF-kappa B. Qsar & Combinatorial Science 2008, 27 (8), 984-995.
26. Shen, Y.; Ryde, U., Reaction mechanism of porphyrin metallation studied by theoretical methods. Chem. Eur. J. 2005, 11 (5), 1549-1564.
27. Shen, Y.; Ryde, U., The structure of sitting-atop complexes of metalloporphyrins studied by theoretical methods. J. Inorg. Biochem. 2004, 98 (5), 878-895.
沈勇
广东省
研究领域：
精细化工
研究方向：
1.酶催化反应机理的QM/MM及MD研究
2.离子通道蛋白传导机制的计算机模拟
3.构效关系(QSAR)、机器学习与分子设计
4.功能材料的计算机模拟
所在单位：
中山大学
