The molecular mechanism of the spontaneous substitution mutations caused by tautomerism of bases: Post Hartree-Fock study of the DNA rare base pairs

• Published in: Біополімери і клітина
• Date: 2005
• Main Authors: Danilov, V.I., Hovorun, D.M., Kurita, N.
• Format: Article
• Language: English
• Published: Інститут молекулярної біології і генетики НАН України 2005
• Subjects: Молекулярна біофізика
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/155116
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: The molecular mechanism of the spontaneous substitution mutations caused by tautomerism of bases: Post Hartree-Fock study of the DNA rare base pairs / V.I. Danilov, D.M. Hovorun, N. Kurita // Біополімери і клітина. — 2005. — Т. 21, № 1. — С. 70-79. — Бібліогр.: 21 назв. — англ.

Gas-phase gradient optimization of the DNA rare base pairs containing lactam-lactim and amino-imino tautomers was carried oat using the Hartree-Fock (HF), Density Functional Theory (DFT) and the second-order Moller-Plesset perturbation (MP2) methods at the 6-31G(d, p) basis set. It is shown that ful...