title: On photoabsorption of the neutral form of the green fluorescent protein chromophore.
abstract: 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.
authors.affiliation: Advanced Biomedical Computing Center, Information Systems Program, SAIC-Frederick Inc., NCI-Frederick, Frederick, MD 21702-1201, USA. topol@ncifcrf.gov
authors.forename: Igor
authors.initials: I
authors.lastname: Topol
authors.forename: Jack
authors.initials: J
authors.lastname: Collins
authors.forename: Igor
authors.initials: I
authors.lastname: Polyakov
authors.forename: Bella
authors.initials: B
authors.lastname: Grigorenko
authors.forename: Alexander
authors.initials: A
authors.lastname: Nemukhin
mesh_terms: 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
chemical_list: D049452:Green Fluorescent Proteins