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Updated: Jul 6, 2026

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
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Published on: January 16, 2016

如何Huperzine A进入和离开乙胆酶的结合沟? 引导分子动力学模拟的模拟

Yechun Xu1, Jianhua Shen, Xiaomin Luo

  • 1Center for Drug Discovery and Design, State Key Laboratory of Drug Research, Shanghai Institute of Meteria Medica, Shanghai Institutes of Biological Sciences, Chinese Academy of Sciences, Zhangjiang Hi-Tech Park, Shanghai 201203, P. R. China.

Journal of the American Chemical Society
|October 14, 2005
PubMed
概括

胡氨酸A (HupA) 更容易与乙胆酶 (AChE) 结合,而不是解离,这可以通过原子级相互作用来解释. 水作为滑剂,在瓶处的硬质障碍对HupA来说是关键.

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