On photoabsorption of the neutral form of the green fluorescent protein chromophore.
We present results of theoretical studies of the photoabsorption band corresponding to the vertical electronic transition S(0)-S(1) between first two singlet states of the model chromophore from the green fluorescent protein (GFP) in its neutral form. Predictions of quantum chemical approaches including ab initio and semi-empirical approximations are compared for the model systems which mimic the GFP chromophore in different environments. We provide evidences that the protein matrix in GFP accounts for a fairly large shift of about 40 nm in the S(0)-S(1) absorption band as compared to the gas phase.
Topol
Igor
I
Advanced Biomedical Computing Center, Information Systems Program, SAIC-Frederick Inc., NCI-Frederick, Frederick, MD 21702-1201, USA. topol@ncifcrf.gov
Collins
Jack
J
Polyakov
Igor
I
Grigorenko
Bella
B
Nemukhin
Alexander
A
D000042:Absorption / Q000502:physiology*; D049452:Green Fluorescent Proteins / Q000737:chemistry*; D008027:Light; D008956:Models, Chemical; D010777:Photochemistry / Q000379:methods; D011789:Quantum Theory; D013050:Spectrometry, Fluorescence
D049452:Green Fluorescent Proteins