Article
Excited states of GFP chromophore and active site studied by the SAC-CI method: effect of protein-environment and mutations.
Journal of computational chemistry - 30 Nov 2007
Hasegawa Jun-Ya, Fujimoto Kazuhiro, Swerts Ben, Miyahara Tomoo, Nakatsuji Hiroshi
Abstract excerpt
Excited states of fluorescent proteins were studied using symmetry-adapted cluster-configuration interaction (SAC-CI) method. Protein-environmental effect on the excitation and fluorescence energies was investigated. In green fluorescent protein (GFP), the overall protein-environmental effect on the first excitation energy is not significant. However, glutamine (Glu) 94 and arginine (Arg96) have the red-shift...
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