Cargando…
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...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2014
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4025581/ https://www.ncbi.nlm.nih.gov/pubmed/24860275 http://dx.doi.org/10.1021/ct5000742 |