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List of works by Ol'ha O Brovarets'

A QM/QTAIM detailed look at the Watson-Crick↔wobble tautomeric transformations of the 2-aminopurine·pyrimidine mispairs

scientific article

A new era of the prototropic tautomerism of the quercetin molecule: A QM/QTAIM computational advances

scientific article published on 11 November 2019

A novel conception for spontaneous transversions caused by homo-pyrimidine DNA mismatches: a QM/QTAIM highlight

scientific article published on 29 July 2015

Atomistic mechanisms of the double proton transfer in the H-bonded nucleobase pairs: QM/QTAIM computational lessons.

scientific article published on 20 April 2018

Atomistic nature of the DPT tautomerisation of the biologically important C·C* DNA base mispair containing amino and imino tautomers of cytosine: a QM and QTAIM approach.

scientific article

Atomistic understanding of the C·T mismatched DNA base pair tautomerization via the DPT: QM and QTAIM computational approaches

scientific article published on 16 August 2013

Can DNA-binding proteins of replisome tautomerize nucleotide bases? Ab initio model study

article

Can tautomerization of the A·T Watson-Crick base pair via double proton transfer provoke point mutations during DNA replication? A comprehensive QM and QTAIM analysis.

scientific article

Conformational diversity of the quercetin molecule: a quantum-chemical view

scientific article published on 17 September 2019

Conformational transitions of the quercetin molecule via the rotations of its rings: a comprehensive theoretical study

scientific article published on 02 August 2019

DPT tautomerisation of the G·Asyn and A*·G*syn DNA mismatches: a QM/QTAIM combined atomistic investigation

scientific article published on 01 May 2014

DPT tautomerisation of the wobble guanine·thymine DNA base mispair is not mutagenic: QM and QTAIM arguments

scientific article published on 21 March 2014

DPT tautomerization of the long A∙A Watson-Crick base pair formed by the amino and imino tautomers of adenine: combined QM and QTAIM investigation.

scientific article published on 29 May 2013

Does the tautomeric status of the adenine bases change upon the dissociation of the A*·Asyn Topal–Fresco DNA mismatch? A combined QM and QTAIM atomistic insight

scientific article published on 01 February 2014

How does the long G·G* Watson–Crick DNA base mispair comprising keto and enol tautomers of the guanine tautomerise? The results of a QM/QTAIM investigation

scientific article published on 01 August 2014

How many tautomerization pathways connect Watson-Crick-like G*·T DNA base mispair and wobble mismatches?

scientific article published on May 2015

Intermolecular CH···O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study.

scientific article published on 3 June 2013

Is high performance computing a requirement for novel drug discovery and how will this impact academic efforts?

scientific article published on 29 April 2020

Is the DPT tautomerization of the long A·G Watson-Crick DNA base mispair a source of the adenine and guanine mutagenic tautomers? A QM and QTAIM response to the biologically important question

scientific article published on 30 December 2013

Key microstructural mechanisms of the 2-aminopurine mutagenicity: Results of extensive quantum-chemical research

scientific article published on 08 January 2019

Non-dissociative structural transitions of the Watson-Crick and reverse Watson-Crick А·Т DNA base pairs into the Hoogsteen and reverse Hoogsteen forms

scientific article published on 10 July 2018

Physico-chemical profiles of the wobble ↔ Watson-Crick G*·2AP(w) ↔ G·2AP(WC) and A·2AP(w) ↔ A*·2AP(WC) tautomerisations: a QM/QTAIM comprehensive survey.

scientific article published on 11 December 2017

Proton tunneling in the A∙T Watson-Crick DNA base pair: myth or reality?

scientific article published on 29 October 2015

Prototropic tautomerism and basic molecular principles of hypoxanthine mutagenicity: an exhaustive quantum-chemical analysis ⬇️

scientific article published on September 10, 2012

Tautomeric transition between wobble A·C DNA base mispair and Watson-Crick-like A·C* mismatch: microstructural mechanism and biological significance

scientific article

The nature of the transition mismatches with Watson-Crick architecture: the G*·T or G·T* DNA base mispair or both? A QM/QTAIM perspective for the biological problem.

scientific article published on 23 June 2014

The physico-chemical "anatomy" of the tautomerization through the DPT of the biologically important pairs of hypoxanthine with DNA bases: QM and QTAIM perspectives

scientific article published on 5 January 2013

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.

scientific article published on 21 November 2013

The significant role of the intermolecular CH⋯O/N hydrogen bonds in governing the biologically important pairs of the DNA and RNA modified bases: a comprehensive theoretical investigation.

scientific article published on 28 October 2014

Whether 2-aminopurine induces incorporation errors at the DNA replication? A quantum-mechanical answer on the actual biological issue.

scientific article published on 31 October 2016

Why the tautomerization of the G·C Watson-Crick base pair via the DPT does not cause point mutations during DNA replication? QM and QTAIM comprehensive analysis.

scientific article published on 2 August 2013

Wobble↔Watson-Crick tautomeric transitions in the homo-purine DNA mismatches: a key to the intimate mechanisms of the spontaneous transversions

scientific article published on 26 November 2015

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