A computational integrating kinetic study on the flexible active site of human acetaldehyde dehydrogenase 1

Yingying Xu,Jinhyuk Lee,Hee Seung Yang,Zhi-Rong Lü,Hang Mu,Jun-Mo Yang,Qian Zhang,Yong-Doo Park

Process Biochemistry（2016）

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摘要

•The guanidine mediated inactivation of acetaldehyde dehydrogenase 1 (ALDH1).•Active site conformational modulation of ALDH1 by guanidine binding.•Integrating study between kinetics and computational molecular dynamics simulations.•Flexible active site pocket of ALDH1.

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关键词

ALDH1,GdnHCl,ANS,MD

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