Interaction of Adenine Adducts with Thymine: A Computational Study
نویسندگان
چکیده
منابع مشابه
Interaction of adenine adducts with thymine: a computational study.
The existence of DNA adducts bring the danger of carcinogenesis because of mispairing with normal DNA bases. 1,N6-ethenoadenine adducts (epsilonA) and 1,N6-ethanoadenine adducts (EA) have been considered as DNA adducts to study the interaction with thymine, as DNA base. Several different stable conformers for each type of adenine adduct with thymine, [epsilonA(1)-T(I), epsilonA(2)-T(I), epsilon...
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We have performed quantum-chemical ab initio in various basis sets at the Hartree-Fock andB3LYP levels for Adenine and Thymine with the program GAUSSIAN98. The Dipole,Quadrupole, Octapole and Hexadecapole moments and primitive in nine basis sets for thesemolecules are presented. The most stabilized forms of these molecules are observed in 6-311++G** basis set. We have evaluated coefficient hybr...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2007
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp066856t