Article
[Structural and energetic properties of the four configurations of the A.T and G.C DNA base pairs].
Ukrains'kyi biokhimichnyi zhurnal (1999 ) - 1 Jan 2000
Brovarets' O O
Abstract excerpt
Using the methods of non-empirical quantum chemistry at the MP2/6-311++G(2df,pd)// B3LYP/6-311++G(d,p) level of theory it was established for the first time, that Hoogsteen, reverse Hoogsteen, Watson-Crick and reverse Watson-Crick configurations of the A.T and G.C DNA base pairs are isoelectronic and isomorphic structures with similar dynamic properties. Based on these results, non-ionisation mechanism of the...
Topics
- Adenine
- Base Pairing
- Cytosine
- DNA
- Guanine
- Hydrogen Bonding
- Models, Molecular
- Mutation
- Nucleic Acid Conformation
- Protons
- Quantum Theory
- Stereoisomerism
- Thermodynamics
- Thymine
