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Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site

Enzymes use protein architectures to create highly specialized structural motifs that can greatly enhance the rates of complex chemical transformations. Here, we use experiments, combined with ab initio simulations that exactly include nuclear quantum effects, to show that a triad of strongly hydrog...

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Detalles Bibliográficos
Publicado en:Proc Natl Acad Sci U S A
Main Authors: Wang, Lu, Fried, Stephen D., Boxer, Steven G., Markland, Thomas E.
Formato: Artigo
Idioma:Inglês
Publicado: National Academy of Sciences 2014
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC4284547/
https://ncbi.nlm.nih.gov/pubmed/25503367
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1417923111
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