We present an ab initio study of the optical absorption properties of a particularly interesting fluorescent protein (E2GFP), whose complex photophysics still escapes elucidation. In particular, we focus on the role of the protein environment, showing that the effects of both nearby residues and the external field due to residues not accounted for explicitly are needed to properly reproduce the experimental data. The spectra calculated taking such contributions into account provide for the first time a robust identification of the states relevant for the photophysics of this system.

Optical absorption of a green fluorescent protein variant : environment effects in a density functional study / C. Camilloni, D. Provasi, G. Tiana, R. A. Broglia. - In: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. - ISSN 1520-6106. - 111:36(2007), pp. 10807-10812.

Optical absorption of a green fluorescent protein variant : environment effects in a density functional study

C. Camilloni
Primo
;
D. Provasi
Secondo
;
G. Tiana
Penultimo
;
R. A. Broglia
Ultimo
2007

Abstract

We present an ab initio study of the optical absorption properties of a particularly interesting fluorescent protein (E2GFP), whose complex photophysics still escapes elucidation. In particular, we focus on the role of the protein environment, showing that the effects of both nearby residues and the external field due to residues not accounted for explicitly are needed to properly reproduce the experimental data. The spectra calculated taking such contributions into account provide for the first time a robust identification of the states relevant for the photophysics of this system.
Molecular-dynamics simulations ; correlation spectroscopy ; structural basis ; energy-transfer ; real-time ; aequorea ; approximation ; chromophore ; excitation ; mutations
Settore FIS/03 - Fisica della Materia
Settore FIS/04 - Fisica Nucleare e Subnucleare
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/34799
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