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 | 171* | 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 | 135 | 2014 |
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 | 106 | 2014 |
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 | 98 | 2015 |
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 | 88 | 2015 |
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 | 78 | 2015 |
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 | 77 | 2015 |
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 | 74 | 2012 |
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 | 69 | 2014 |
How stable are the mutagenic tautomers of DNA bases? OO Brovarets, DM Hovorun Biopolymers and Cell 26 (1), 72-76, 2010 | 68* | 2010 |
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 | 66 | 2015 |
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 | 66 | 2013 |
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 | 65 | 2015 |
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 | 64 | 2013 |
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 | 63 | 2015 |
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 | 63 | 2013 |
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 | 62 | 2013 |
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 | 60 | 2013 |
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 | 58 | 2014 |
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 | 52 | 2015 |