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DrSci Brovarets' Ol'ha (Броварець Ольга Олександрівна)
DrSci Brovarets' Ol'ha (Броварець Ольга Олександрівна)
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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
OO Brovarets, DM Hovorun
Journal of Biomolecular Structure and Dynamics 32 (1), 127-154, 2014
177*2014
Intermolecular CH··· O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study
OO Brovarets’, YP Yurenko, DM Hovorun
Journal of Biomolecular Structure and Dynamics 32 (6), 993-1022, 2014
1422014
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
OO Brovarets’, DM Hovorun
Journal of Biomolecular Structure and Dynamics 32 (9), 1474-1499, 2014
1082014
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 …
OO Brovarets’, YP Yurenko, DM Hovorun
Journal of Biomolecular Structure and Dynamics 33 (8), 1624-1652, 2015
1002015
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
OO Brovarets’, DM Hovorun
Journal of Biomolecular Structure and Dynamics 33 (5), 925-945, 2015
912015
Tautomeric transition between wobble A· C DNA base mispair and Watson–Crick-like A· C* mismatch: Microstructural mechanism and biological significance
OB Ol'ha, DM Hovorun
Physical Chemistry Chemical Physics 17 (23), 15103-15110, 2015
792015
How many tautomerization pathways connect Watson–Crick-like G*· T DNA base mispair and wobble mismatches?
OO Brovarets’, DM Hovorun
Journal of Biomolecular Structure and Dynamics 33 (11), 2297-2315, 2015
782015
Can DNA-binding proteins of replisome tautomerize nucleotide bases? Ab initio model study
OO Brovarets’, YP Yurenko, IY Dubey, DM Hovorun
Journal of Biomolecular Structure and Dynamics 29 (6), 1101-1109, 2012
752012
How stable are the mutagenic tautomers of DNA bases?
OO Brovarets, DM Hovorun
Biopolymers and Cell 26 (1), 72-76, 2010
72*2010
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 …
OO Brovarets', RO Zhurakivsky, DM Hovorun
Journal of Computational Chemistry 35 (6), 451-466, 2014
702014
Prototropic tautomerism and basic molecular principles of hypoxanthine mutagenicity: An exhaustive quantum-chemical analysis
OO Brovarets’, DM Hovorun
Journal of Biomolecular Structure and Dynamics 31 (8), 913-936, 2013
682013
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
OO Brovarets’, DM Hovorun
Journal of Biomolecular Structure and Dynamics 33 (1), 28-55, 2015
672015
New structural hypostases of the A· T and G· C Watson–Crick DNA base pairs caused by their mutagenic tautomerisation in a wobble manner: A QM/QTAIM prediction
OB Ol’ha, DM Hovorun
RSC advances 5 (121), 99594-99605, 2015
662015
Atomistic understanding of the C· T mismatched DNA base pair tautomerization via the DPT: QM and QTAIM computational approaches
OO Brovarets', DM Hovorun
Journal of Computational Chemistry 34 (30), 2577-2590, 2013
652013
DPT tautomerisation of the wobble guanine· thymine DNA base mispair is not mutagenic: QM and QTAIM arguments
OO Brovarets’, RO Zhurakivsky, DM Hovorun
Journal of Biomolecular Structure and Dynamics 33 (3), 674-689, 2015
642015
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
OO Brovarets’, RO Zhurakivsky, DM Hovorun
Journal of Molecular Modeling 19, 4223-4237, 2013
642013
The physico-chemical mechanism of the tautomerisation via the DPT of the long Hyp*·Hyp Watson-Crick base pair containing rare tautomer: A QM and QTAIM …
OO Brovarets, RO Zhurakivsky, DM Hovorun
Chemical Physics Letters 578, 126-132, 2013
622013
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.
OO Brovarets, DM Hovorun
Physical Chemistry Chemical Physics: PCCP 15 (46), 20091-20104, 2013
612013
Does the tautomeric status of the adenine bases change upon the dissociation of the A*· A (syn) Topal-Fresco DNA mismatch? A combined QM and QTAIM atomistic insight.
OO Brovarets, RO Zhurakivsky, DM Hovorun
Physical Chemistry Chemical Physics: PCCP 16 (8), 3715-3725, 2014
582014
Proton tunneling in the A∙ T Watson-Crick DNA base pair: myth or reality?
OO Brovarets’, DM Hovorun
Journal of Biomolecular Structure and Dynamics 33 (12), 2716-2720, 2015
542015
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