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Intermediate-Assisted Multifunctional Catalysis in the Conversion of Flavin to 5,6-Dimethylbenzimidazole by BluB: A Density Functional Theory Study

Wang, Xiao-Lei; Quan, Jun-Min^*

Journal of the American Chemical Society, 2011, 133(11): 4079-4091.

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Theoretical Studies on the Mechanism, Enantioselectivity, and Axial Ligand Effect of a Ru(salen)-Catalyzed Asymmetric Cyclopropanation Reaction

Shi, Ting; Luo, Yu; Wang, Xiao-Lei; Lu, Shaoyong; Zhao, Yi-Lei; Zhang, Jian

Organometallics, 2014, 33(14): 3673-3682.

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Features of S-nitrosylation based on statistical analysis and molecular dynamics simulation: cysteine acidity, surrounding basicity, steric hindrance and local flexibility

Cheng, Shangli; Shi, Ting; Wang, Xiao-Lei; Liang, Juan; Wu, Hongyi; Xie, Lu; Li, Yixue; Zhao, Yi-Lei^*

Mol Biosyst, 2014, 10(10): 2597-606.

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Theoretical Studies of the Binding-affinity and Reactivity Between Laccase and Phenolic Substrates

Qi, Yanbing; Zhu, Jiren; Sun, Yaojin; Du, Yun; Chu, Jianjun; Shi, Ting; Zhao, Yi-Lei^*; Wang, Xiao-Lei

Chemical Journal of Chinese Universities, 2014, 35(4): 776-783.

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Theoretical Study on the Relationship between Rp-Phosphorothioation and Base-Step in S-DNA: Based on Energetic and Structural Analysis

Chen, Limeng; Wang, Xiao-Lei; Shi, Ting; Wu, Tingting; Deng, Zixin; Zhao, Yi-Lei^*

Journal of Physical Chemistry B, 2015, 119(2): 474-481.

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Influence of counteranions on catalytic ability of immobilized laccase in Cu-alginate matrices: Inhibition of chloride and activation of acetate

Pan, Ting; Sun, Yao-Jin; Wang, Xiao-Lei; Shi, Ting; Zhao, Yi-Lei^*

Chinese Chemical Letters, 2014, 25(7): 983-988.

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y Elucidation of Enzymatic Mechanism of Phenazine Biosynthetic Protein PhzF Using QM/MM and MD Simulations

Liu, Fei; Zhao, Yi-Lei; Wang, Xiaolei; Hu, Hongbo; Peng, Huasong; Wang, Wei; Wang, Jing-Fang; Zhang, Xuehong^*

PLos One, 2015, 10(9): e0139081.

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