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The mechanism of a green fluorescent protein proton shuttle unveiled in the time-resolved frequency domain by excited state ab initio dynamics

We simulated an excited state proton transfer in green fluorescent protein by excited state ab initio dynamics, and examined the reaction mechanism in both the time and the frequency domain through a multi resolution wavelet analysis. This original approach allowed us, for the first time, to directl...

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Bibliografiske detaljer
Udgivet i:Chem Sci
Main Authors: Donati, Greta, Petrone, Alessio, Caruso, Pasquale, Rega, Nadia
Format: Artigo
Sprog:Inglês
Udgivet: Royal Society of Chemistry 2018
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5890789/
https://ncbi.nlm.nih.gov/pubmed/29675157
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7sc02803b
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