The physicochemical essence of the purine·pyrimidine transition mismatches with Watson-Crick geometry in DNA: A·C* versa A*·C. A QM and QTAIM atomistic understanding.

Abstract

It was established for the first time by DFT and MP2 quantum-mechanical (QM) methods either in vacuum, so in the continuum with a low dielectric constant (ε = 4), typical for hydrophobic interfaces of specific protein-nucleic acid interactions, that the repertoire for the tautomerisation of the biologically important adenine · cytosine* (A · C*) mismatched… (More)
DOI: 10.1080/07391102.2013.852133

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Cite this paper

@article{Brovarets2015ThePE, title={The physicochemical essence of the purine·pyrimidine transition mismatches with Watson-Crick geometry in DNA: A·C* versa A*·C. A QM and QTAIM atomistic understanding.}, author={Ol'ha O. Brovarets' and Dmytro M. Hovorun}, journal={Journal of biomolecular structure & dynamics}, year={2015}, volume={33 1}, pages={28-55} }