Base pairing in RNA structures: A computational analysis of structural aspects and interaction energies
β Scribed by Purshotam Sharma; Abhijit Mitra; Sitansh Sharma; Harjinder Singh
- Book ID
- 107584376
- Publisher
- Indian Academy of Sciences,Royal Society of Chemistry
- Year
- 2007
- Tongue
- English
- Weight
- 235 KB
- Volume
- 119
- Category
- Article
- ISSN
- 0253-4134
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π SIMILAR VOLUMES
A theoretical study of stacking patterns of various hydrogen-bonded base pair complexes has been undertaken. Modified Rayleigh-Schrodinger perturbation theory for intermediate range interactions, has been employed to evaluate the stacking interactions using multicentered-multipole expansion method.
The gas-phase interaction energies of methane and neopentane dimers are calculated at various intermolecular distances and geometries using several molecular mechanics and semiempirical parameter sets. For comparisons, a set Ε½ . of reference calculations are also performed using the 6α311G 2 d, 2 p