Study of the hydrogen bond in different orientations of adenine-thymine base pairs: Anab initiostudy
β Scribed by M. Monajjemi; B. Chahkandi; K. Zare; A. Amiri
- Publisher
- Springer
- Year
- 2005
- Tongue
- English
- Weight
- 146 KB
- Volume
- 70
- Category
- Article
- ISSN
- 0006-2979
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The potential energy surface along the hydrogen-bonded proton transfer between the Watson-Crick (WC) adenine-thymine (A-T) base pair of deoxyribonucleic acid (DNA) and its tautomeric structures is calculated with 6-31G(d,p) basis set in Hartree-Fock (HF), density functional theory with Becke's three
## Abstract The B3LYP/DZP++ approach has been used to investigate the properties of hydrogenated radicals and anions of adenineβthymine (AβT) base pairs. Our calculations show that the hydrogenated radicals and anions have relatively high stabilities compared with the single adenine and thymine bas
We have synthesized a new class of modified nucleoside, X, that could recognize adenine-thymine base pairs. They were designed to form the triple helix of A-ToX motif, where X forms hydrogen bonds to the N7 and NH2 of the far-side adenine in the major groove. Compounds 1 and 2 are a new type of trip