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Coupling Between Hydrogen Atoms Transfer and Stacking Interaction in Adenine-Thymine/Guanine-Cytosine Complexes: A Theoretical Study
journal contribution
posted on 2014-05-22, 00:00 authored by Giovanni VillaniFour different complexes of two base
pairs, an adenine–thymine
and a guanine–cytosine one, have been studied in order to understand
the modifications induced by the staking interaction between the two
base pairs on the hydrogen atoms transfers between the bases in either
base pair. The inclusion of these two kinds of interactions allows
us to clarify if some properties, as the mechanism of hydrogen transfer,
is exclusively a local effect of a base pair or can be modified by
a more long-range interaction between the base pairs. The results
on these four complexes are compared with those of the monomeric systems,
the A–T and G–C base pair, and with those of the A–T
and G–C dimers. The specificity of each complex and of each
hydrogen bond has been analyzed.