Can I read Computational Study of the Absorption Spectra of Green Fluorescent Protein Mutants on EtoBox?

Computational Study of the Absorption Spectra of Green Fluorescent Protein Mutants by Soumya S. Patnaik; Steven Trohalaki; Rajesh R. Naik; Morley O. Stone; Ruth Pachter is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.

What is Computational Study of the Absorption Spectra of Green Fluorescent Protein Mutants about?

## Abstract In this work, we present a theoretical study of the relationship between molecular structure and the red‐shift in absorption spectra of S65G and S65T green fluorescent protein (GFP) mutants. To identify the effects of the protein environment, we combined results from molecular dynamics (MD) simulations and quantum mechanics/molecular mechanics calculations to obtain structural properties, and applied time‐dependent density functional theory to calculate the excitation energies. By using results from the MD simulations, we were able to provide a systematic analysis of the structural details that may effect the red‐shift in the absorption spectra when taking into account temperature effects. Furthermore, a detailed study of hydrogen bonding during the MD simulations demonstrated differences between S65G and S65T, for example, regarding hydrogen bonding with Glu222. An analysis of the absorption spectra for different forms of the chromophore emphasized the dominance of the anionic forms in solution for the S65G and S65T GFP mutants. © 2007 Wiley Periodicals, Inc. Biopolymers 85: 253–263, 2007. This article was originally published online as an accepted preprint. The “Publi

Who reads Computational Study of the Absorption Spectra of Green Fluorescent Protein Mutants?

Author

Soumya S. Patnaik; Steven Trohalaki; Rajesh R. Naik; Morley O. Stone; Ruth Pachter

Publisher

Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0006-3525)

Published

2007

Language

EN

Field

Biochemistry, Genetics and Molecular Biology (Life Sciences)