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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...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2014
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| Acesso em linha: | 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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