A computational study of the interaction between dopamine and DNA/RNA nucleosides
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| 003 | CHVBK | ||
| 005 | 20210128100650.0 | ||
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| 008 | 210128e20150901xx s 000 0 eng | ||
| 024 | 7 | 0 | |a 10.1007/s00894-015-2788-9 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00894-015-2788-9 | ||
| 245 | 0 | 2 | |a A computational study of the interaction between dopamine and DNA/RNA nucleosides |h [Elektronische Daten] |c [Katarína Skúpa, Milan Melicherčík, Ján Urban] |
| 520 | 3 | |a 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 0.2eV was found combined with a reduction of the oscillator strength. | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Dopamine |2 nationallicence | |
| 690 | 7 | |a Excitation |2 nationallicence | |
| 690 | 7 | |a Interaction |2 nationallicence | |
| 690 | 7 | |a Nucleoside |2 nationallicence | |
| 700 | 1 | |a Skúpa |D Katarína |u Faculty of Mathematics, Physics and Informatics, Comenius University in Bratislava, Bratislava, Slovakia |4 aut | |
| 700 | 1 | |a Melicherčík |D Milan |u Faculty of Mathematics, Physics and Informatics, Comenius University in Bratislava, Bratislava, Slovakia |4 aut | |
| 700 | 1 | |a Urban |D Ján |u Faculty of Mathematics, Physics and Informatics, Comenius University in Bratislava, Bratislava, Slovakia |4 aut | |
| 773 | 0 | |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/9(2015-09-01), 1-10 |x 1610-2940 |q 21:9<1 |1 2015 |2 21 |o 894 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00894-015-2788-9 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00894-015-2788-9 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Skúpa |D Katarína |u Faculty of Mathematics, Physics and Informatics, Comenius University in Bratislava, Bratislava, Slovakia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Melicherčík |D Milan |u Faculty of Mathematics, Physics and Informatics, Comenius University in Bratislava, Bratislava, Slovakia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Urban |D Ján |u Faculty of Mathematics, Physics and Informatics, Comenius University in Bratislava, Bratislava, Slovakia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/9(2015-09-01), 1-10 |x 1610-2940 |q 21:9<1 |1 2015 |2 21 |o 894 | ||