Optical absorption of a green fluorescent protein variant: environmental effects in a density functional study

Article Abstract:

The optical properties of the green fluorescent protein (GFP) variant are studied by using time-dependent density functional theory (TDDFT). The role of the protein environment is studied, which has shown that the effects of both nearby residues and the external field due to residues not accounted for explicitly are required for properly reproducing the experimental data.

Environmental aspects, Proteins

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Conformational behavior of basic monomeric building units of glycosaminoglycans: Isolated systems and solvent effect

Article Abstract:

The systematic large-scale theoretical investigations of the glycosaminoglycan building units are reported. The computations that include the effect of solvation has indicated that in water the relative stability of [Na.sup.+]...ligand ionic bonds is diminished and the computed interaction energy in water is small and negative.

Conformational analysis, Glycosaminoglycans, Mucopolysaccharides, Report

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Time-resolved resonance Raman investigation of the 2-fluorenylnitrenium ion reactions with C8 guanosine derivatives

Article Abstract:

The nanosecond time-resolved resonance Raman (ns-[TR.sup.3]) spectroscopic study is conducted to analyze the reactions of the 2-fluorenylnitrenium ion with C8 guanosine derivatives. These reactions are found to produce C8 intermediates with various methyl and bromine moieties.

Technology application, Raman spectroscopy, Perfluorocarbons, Guanosine

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