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Updated: Jan 14, 2026

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

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对溶剂封装和通过calix[4]arene的宿主-客人识别的计算洞察力

Khalida Khalil1,2, Béla Fiser3,4,5, Magdalena Małecka6

  • 1Department of Physical Chemistry, Faculty of Chemistry, University of Lodz, Pomorska 163/165, 90-236, Lodz, Poland.

Scientific reports
|October 16, 2025
PubMed
概括

[4]arene与各种有机溶剂形成稳定的纳入复合物. 溶剂封装影响了宿主-客人相互作用和[4]的电子特性,影响了分子识别.

关键词:
卡利克斯 (Calix) 是一个[4]arene 的生物.DFT计算方法的计算方法东道主和客人的综合体.非共价相互作用 非共价相互作用有机溶剂 有机溶剂在QTAIM中,QTAIM是QTAIM.

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