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American Chemical Society, Journal of the American Chemical Society, 33(127), p. 11534-11535, 2005

DOI: 10.1021/ja045269n

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Properties of the emitting state of the Green Fluorescent Protein resolved at the CASPT2//CASSCF/CHARMM level.

Journal article published in 2005 by Adalgisa Sinicropi, Tadeusz Andruniow, Nicolas Ferré, Riccardo Basosi ORCID, Massimo Olivucci ORCID
This paper is available in a repository.
This paper is available in a repository.

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Abstract

A "brute-force" ab initio CASPT2//CASSCF/CHARMM computational approach is employed to investigate the properties of the emitting state of the wild-type green fluorescence protein. The results indicate that the emitting moiety corresponds to a slightly perturbed H2O- - -chromophore complex. Thus, the protein matrix seems to be designed in such a way to mimic an environment that is more similar to gas-phase than water solution.