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Etude théorique de processus photophysiques dans des protéines fluorescentes

Abstract : This Phd presents a theoretical study of proteins of the Green Fluorescent Protein family. These proteins allow to obtain new insight into a lot of in vivo biological processes. However, their photophysical properties are not always well controlled. Theoretical studies are complementary to experimental studies. It allows us to obtain a better understanding of microscopic processes and to contribute to the interpretation of photophysical properties of these proteins. The first part of this Phd deals with a molecular dynamics study of the effect of the pH on the structure and the absorption spectra of the Cerulean. This study demonstrates that the shift of the absorption spectra experimentally observed is due to a chromophore isomerisation linked to a motion of the side chain of an amino acid close to the chromophore. The second part of this Phd focuses on the study of the fluorescent decay of the Green Fluorescent Protein. We have developed an approach involving biased molecular dynamics simulation and Brownian dynamics simulations in order to determine the kinetics of a quenching mechanism. This approach allowed us to get the nth passage time distributions at critical geometries and to compute quantitative data of the fluorescent decay. The tools we have developed in this Phd and their future improvements will allow to go on in the understanding of the relation between chromophore isomerisation, pH and fluorescent decay, which are strongly related in fluorescent proteins.
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https://tel.archives-ouvertes.fr/tel-00431879
Contributor : Germain Vallverdu <>
Submitted on : Friday, November 13, 2009 - 1:44:51 PM
Last modification on : Thursday, January 11, 2018 - 6:18:32 AM
Document(s) archivé(s) le : Tuesday, October 16, 2012 - 2:00:54 PM

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  • HAL Id : tel-00431879, version 1

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Germain Vallverdu. Etude théorique de processus photophysiques dans des protéines fluorescentes. Autre. Université Paris Sud - Paris XI, 2009. Français. ⟨tel-00431879⟩

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