He, B.-B.; Zhou, T.; Bu, X.-L.; Weng, J.-Y.; Xu, J.; Lin, S.-J.; Zheng, J.-T.;* Zhao, Y.-L.;* Xu, M.-J.* (2019) “Enzymatic Pyran Formation Involved in Xiamenmycin Biosynthesis” ACS Catalysis, 9(6): 5391-5399

Zhang, Z.; Jamieson, C.; Zhao, Y.-Lei; Li, D.; Ohashi, M.; * K. N. Houk, * & Y. Tang (2019) “Enzyme-catalyzed inverse-electron demand Diels-Alder reaction in the biosynthesis of antifungal ilicicolin H” J. Am. Chem. Soc.. 141 (14), pp 5659–5663

Zhou, J.-Y.; Wang, Y.; Xu, G.-C.; Wu, L.; Han, R.-Z.; Schwaneberg, U.; Rao, Y.-J.; Zhao, Y.-L.; Zhou, J.-H.; * Ni, Y* (2018) “Structural insight into enantioselective inversion of an alcohol dehydrogenase reveals a “polar gate” in stereo-recognition of diaryl ketones” J. Am. Chem. Soc. 140(39): 12645-12654

Nie, Y.; Wang, S.; Xu, Y.; Luo, S.; Zhao, Y.-L.;* Xiao, R.;* Montelione, G.; Hunt, J.; Szyperski, T. (2018) “Enzyme engineering based on X-ray structures and kinetic profiling of substrate libraries: alcohol dehydrogenases for stereospecific synthesis of a broad range of chiral alcohols” ACS catalysis. 8, 5145−5152

Shi, T.; Liu, L.; Tao, W.; Luo, S.; Fan, S.; Wang, X.-L.; Bai, L.; Zhao, Y.-L.* (2018) “Theoretical studies on the catalytic mechanism and substrate diversity for macrocyclization of pikromycin thioesterase” ACS catalysis.  2018, 8, 4323−4332

Chen, X.-P.; Shi, T.; Wang, X.-L.; Wang, J.; Chen, Q.; Bai, L.; Zhao Y.-L.* (2016) “Theoretical studies on the mechanism of thioesterase-catalyzed macrocyclization in erythromycin biosynthesis” ACS catalysis. 6, 4369-4378.

Qi, Y.-B; Wang, X.-L.; Shi, T.; Liu, S.; Xu, Z.-H.; Li, XQ; Shi, XL; Xu, P.; Zhao Y.-L.* (2015) “Multicomponent Kinetic Analysis and Theoretical Studies on the Phenolic Intermediates in the Oxidation of Eugenol and Isoeugenol Catalyzed by Laccase” Physical Chemistry Chemical Physics, 17 (44), 29597-29607

Huang, Y.; Tian, M.; Zhang, YC; Sheng, G.; Chen, Z.; Ma, Y.; Chen, Y.; Peng, YH; Zhao, Y.-L.*; Wang, YL.; Zhang, LH; Yang, ZJ* (2015) “D-Isonucleotide (isoNA) incorporation around cleavage site of passenger strand promotes the vibration of Ago2-PAZ domain and enhances in vitro potency of siRNA”. Organic & Biomolecular Chemistry, 13(44), 10825-10833.

Chen, L.; Wang, X.-L.; Shi, T.; Wu, T.; Deng, Z.; Zhao, YL* (2015) “Theoretical Study on the Relationship between Rp-Phosphorothioation and Base-Step in S-DNA: Based on Energetic and Structural Analysis”. J. Phys. Chem. B, 119, 474–481.

Zhang, Y.-C.; Liang, J.; Lian, P.; Han, Y.; Chen, Y.; Bai, L.; Wang, Z.; Liang, J.; Deng, Z.; Zhao, YL* (2012) “Theoretical Study on Steric Effects of DNA Phosphorothioation: B-Helical Destabilization in Rp-Phosphorothioated DNA”. J. Phys. Chem. B, 116, 10639–10648.