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2005:
Sinicropi Adalgisa; Andruniow Tadeusz; Ferré Nicolas; Basosi Riccardo; Olivucci Massimo
Properties of the emitting state of the green fluorescent protein resolved at the CASPT2//CASSCF/CHARMM level.
Journal of the American Chemical Society 2005;
127(
33):.
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.
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