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Article

Rational Redesign of Enzyme via the Combination of Quantum Mechanics/Molecular Mechanics, Molecular Dynamics, and Structural Biology Study.

Journal of the American Chemical Society - 29 Sept 2021

Lin Hong-Yan, Chen Xi, Dong Jin, Yang Jing-Fang, Xiao Han, Ye Ying, Li Lin-Hui, Zhan Chang-Guo, Yang Wen-Chao, Yang Guang-Fu

Abstract excerpt

Increasing demands for efficient and versatile chemical reactions have prompted innovations in enzyme engineering. A major challenge in engineering α-ketoglutarate-dependent oxygenases is to develop a rational strategy which can be widely used for directly evolving the desired mutant to generate new products. Herein, we report a strategy for rational redesign of a model enzyme, 4-hydroxyphenylpyruvate dioxygenase...

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PMID: 34542283
DOI: 10.1021/jacs.1c06227

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