Optical Absorption of a Green Fluorescent Protein Variant: Environment Effects in a Density Functional Study

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• 作者：Carlo Camilloni ; Davide Provasi ; Guido Tiana ; Ricardo A. Broglia
• 刊名：Journal of Physical Chemistry B
• 出版年：2007
• 出版时间：September 13, 2007
• 年：2007
• 卷：111
• 期：36
• 页码：10807 - 10812
• 全文大小：165K
• 年卷期：v.111,no.36(September 13, 2007)
• ISSN：1520-5207

文摘

We present an ab initio study of the optical absorption properties of a particularly interesting fluorescentprotein (E²GFP), whose complex photophysics still escapes elucidation. In particular, we focus on the role ofthe protein environment, showing that the effects of both nearby residues and the external field due to residuesnot accounted for explicitly are needed to properly reproduce the experimental data. The spectra calculatedtaking such contributions into account provide for the first time a robust identification of the states relevantfor the photophysics of this system.