首页> International journal of biological macromolecules> Rational redesign of the loop dynamics of carbonyl reductase LfSDR1 to improve the stereoselectivity for asymmetric synthesis of bulky chiral alcohols.

Rational redesign of the loop dynamics of carbonyl reductase LfSDR1 to improve the stereoselectivity for asymmetric synthesis of bulky chiral alcohols.

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第一作者： Xiaoping,Yue

第一单位： Engineering Center of Catalysis and Synthesis for Chiral Molecules, Fudan University, Shanghai 200433, China; Shanghai Engineering Center of Industrial Catalysis for Chiral Drugs, Fudan University, Shanghai 200433, China; School of Chemical Engineering, Jiangxi Normal University, Nanchang 330022, China.

作者： Xiaoping,Yue ^[1] ; Yitong,Li ^[2] ; Mankun,Wei ^[3] ; Yu,Duan ^[3] ; Lin,Yang ^[4] ; Fen-Er,Chen ^[5]

作者单位： Engineering Center of Catalysis and Synthesis for Chiral Molecules, Fudan University, Shanghai 200433, China; Shanghai Engineering Center of Industrial Catalysis for Chiral Drugs, Fudan University, Shanghai 200433, China; School of Chemical Engineering, Jiangxi Normal University, Nanchang 330022, China. ^[1] Engineering Center of Catalysis and Synthesis for Chiral Molecules, Fudan University, Shanghai 200433, China; Shanghai Engineering Center of Industrial Catalysis for Chiral Drugs, Fudan University, Shanghai 200433, China. ^[2] School of life science, Jiangxi Normal University, Nanchang 330022, China. ^[3] School of Chemical Engineering, Jiangxi Normal University, Nanchang 330022, China. Electronic address: linyang2023@jxnu.edu.cn. ^[4] Engineering Center of Catalysis and Synthesis for Chiral Molecules, Fudan University, Shanghai 200433, China; Shanghai Engineering Center of Industrial Catalysis for Chiral Drugs, Fudan University, Shanghai 200433, China; School of Chemical Engineering, Jiangxi Normal University, Nanchang 330022, China. Electronic address: rfchen@fudan.edu.cn. ^[5]

关键词 Chiral alcohols Loop dynamics Molecular dynamic simulation Rationally engineering Rosetta design