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个人简介

聚焦计算生物化学研究,如DNA磷硫酰化引起的双螺旋结构微扰和化学性质变化、生物合成酶和工业酶突变的反应势能面与催化效能关系。在JACS、ACS Catalysis等化学主流期刊上发表了近90篇SCI论文,获UCLA优秀博士后、上海市浦江人才和东方学者、教育部新世纪优秀人才等奖励。 2009.5- 上海交通大学 生命科学技术学院 教授 博士生导师 微生物代谢国家重点实验室 PI 2005-2009 美国国家标准技术研究所 外国研究员 2002-2005 美国加州大学洛杉矶分校 博士后 1998-2002 香港科技大学 计算化学 博士 1994-1997 北京大学 稀土材料化学及应用国家重点实验室 硕士 1989-1994 中国科技大学 应用化学 本科

研究领域

聚焦计算生物化学研究,如DNA磷硫酰化引起的双螺旋结构微扰和化学性质变化、生物合成酶和工业酶突变的反应势能面与催化效能关系。在JACS、ACS Catalysis等化学主流期刊上发表了近90篇SCI论文,获UCLA优秀博士后、上海市浦江人才和东方学者、教育部新世纪优秀人才等奖励。

近期论文

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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 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. 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

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