On the nature of stability of the nucleotide base associates in water solution
โ Scribed by V. I. Danilov
- Publisher
- Springer
- Year
- 1975
- Tongue
- English
- Weight
- 211 KB
- Volume
- 2
- Category
- Article
- ISSN
- 0301-4851
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โฆ Synopsis
Expression for the long-range intermolecular interaction energy obtained by the perturbation theory method in atomic dipole approximation are used for the study of the nature of base interaction in stacked dimers formed of two neighbouring DNA base pairs. Base wave functions are computed by the CNDO-CI method. The inplane interactions are shown to give the dominant contribution into the DNA stabilization energy in vacuum. The estimations performed for the solvent effect on intermolecular interaction energy allowed us to draw conclusions about the decisive role of hydrophobic interactions in a base stacking.
๐ SIMILAR VOLUMES
## Abstract The unwinding free energy of 128 DNA octamers was correlated with the sum of interaction energies among DNA bases and their solvation energies. The former energies were determined by using the recently developed density functional theory procedure augmented by London dispersion energy (