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How Accurate Are Transition States from Simulations of Enzymatic Reactions?

[Image: see text] The rate expression of traditional transition state theory (TST) assumes no recrossing of the transition state (TS) and thermal quasi-equilibrium between the ground state and the TS. Currently, it is not well understood to what extent these assumptions influence the nature of the a...

詳細記述

保存先:
書誌詳細
主要な著者: Doron, Dvir, Kohen, Amnon, Nam, Kwangho, Major, Dan Thomas
フォーマット: Artigo
言語:Inglês
出版事項: American Chemical Society 2014
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC4025581/
https://ncbi.nlm.nih.gov/pubmed/24860275
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct5000742
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