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On Catalytic Preorganization in Oxyanion Holes: Highlighting the Problems With the Gas Phase Modeling of Oxyanion Holes and Illustrating the Need for Complete Enzyme Models

Oxyanion holes play a major role in catalyzing enzymatic reactions, yet the corresponding energetics is frequently misunderstood. The main problem may be associated with the non-trivial nature of the electrostatic preorganization effect, without following the relevant formulation. That is, although...

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Detalhes bibliográficos
Main Authors: Kamerlin, Shina C. L., Chu, Zhen T., Warshel, A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2945449/
https://ncbi.nlm.nih.gov/pubmed/20825150
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jo100651s
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