| Autor: |
Leonid Gorb, Oleg V. Shishkin, Tetiana Zubatiuk |
| Jazyk: |
angličtina |
| Rok vydání: |
2023 |
| Předmět: |
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| Zdroj: |
BBA Advances, Vol 3, Iss , Pp 100082- (2023) |
| Druh dokumentu: |
article |
| ISSN: |
2667-1603 |
| DOI: |
10.1016/j.bbadva.2023.100082 |
| Popis: |
In this review, we analyze and systematize our computational studies of the nucleic acid duplex formations and thermodynamic stability under the different factors of investigation. The proposed structural models of mini-helix contains N nucleobase pairs (N = 3-5); QM structural data suggest that the helical conformations of mini-helix adopt geometrical parameters comparable to those of natural A- and B-DNA forms under specific conditions as micro hydration and charge compensation. The gas-phase models adopt non regular conformations between the helical form and a ladder form.. The natural helical shape of DNA mini-helix is stabilized by the presence of counterions or by explicit micro-hydration of the major and minor groves. The presence of aqueous solution is shown as a minor factor for the helical shape formation. The studies are performed at the level of density functional theory. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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