title: A computational study of the interaction between dopamine and DNA/RNA nucleosides.
abstract: The interaction between protonated dopamine and neutral RNA and DNA nucleosides was studied by means of density functional theory calculations in vacuum and in implicit water. On the most stable complexes formed with each of the nucleosides, the vertical absorption excitation energies were evaluated and compared with the values of separated dopamine and corresponding nucleoside. The most stable complex was formed with guanosine and the spectral changes in this complex resulted in a significant reduction of the oscillator strength of the first dopamine's transition. In the first guanosine's transition, a redshift of 0.2 eV was found combined with a reduction of the oscillator strength.
authors: Faculty of Mathematics, Physics and Informatics, Comenius University in Bratislava, Bratislava, Slovakia, katarina.skupa@fmph.uniba.sk.
authors: Katarína
authors: K
authors: Skúpa
authors: Milan
authors: M
authors: Melicherčík
authors: Ján
authors: J
authors: Urban
mesh_terms: D003853:Deoxyribonucleosides / Q000737:chemistry*; D004298:Dopamine / Q000737:chemistry*; D008958:Models, Molecular; D012263:Ribonucleosides / Q000737:chemistry*; D013816:Thermodynamics; D014618:Vacuum; D014867:Water / Q000737:chemistry
chemical_list: D003853:Deoxyribonucleosides; D012263:Ribonucleosides; D014867:Water; D004298:Dopamine