A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From ab initio Molecular Dynamics

The Green Fluorescent Protein (GFP) is a widely studied chemical system both for its large amount of applications and the complexity of the excited state proton transfer responsible of the change in the protonation state of the chromophore. A detailed investigation on the structure of the chromophor...

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Bibliographic Details
Main Authors: Federico Coppola, Fulvio Perrella, Alessio Petrone, Greta Donati, Nadia Rega
Format: Article
Language:English
Published: Frontiers Media S.A. 2020-10-01
Series:Frontiers in Molecular Biosciences
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2020.569990/full