Downstream elements of mammalian pre‐mRNA polyadenylation signals: primary, secondary and higher‐order structures MI Zarudnaya, IM Kolomiets, AL Potyahaylo, DM Hovorun Nucleic acids research 31 (5), 1375-1386, 2003 | 195 | 2003 |
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 | 162 | 2014 |
Bridging QTAIM with vibrational spectroscopy: The energy of intramolecular hydrogen bonds in DNA-related biomolecules TY Nikolaienko, LA Bulavin, DM Hovorun Physical Chemistry Chemical Physics 14 (20), 7441-7447, 2012 | 146 | 2012 |
JANPA: An open source cross-platform implementation of the Natural Population Analysis on the Java platform TY Nikolaienko, LA Bulavin, DM Hovorun Computational and Theoretical Chemistry 1050, 15-22, 2014 | 142 | 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 | 138 | 2014 |
MP2 and DFT studies of the DNA rare base pairs: the molecular mechanism of the spontaneous substitution mutations conditioned by tautomerism of bases VI Danilov, VM Anisimov, N Kurita, D Hovorun Chemical Physics Letters 412 (4-6), 285-293, 2005 | 131 | 2005 |
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 | 107 | 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 | 100 | 2015 |
Intramolecular CH… O hydrogen bonds in the AI and BI DNA-like conformers of canonical nucleosides and their Watson-Crick pairs. Quantum chemical and AIM analysis YP Yurenko, RO Zhurakivsky, SP Samijlenko, DM Hovorun Journal of Biomolecular Structure and Dynamics 29 (1), 51-65, 2011 | 98 | 2011 |
Molecular structure of free canonical 2′-deoxyribonucleosides: a density functional study OV Shishkin, A Pelmenschikov, DM Hovorun, J Leszczynski Journal of Molecular Structure 526 (1-3), 329-341, 2000 | 97 | 2000 |
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 |
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 | 78 | 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 |
Tautomeric equilibrium of uracil and thymine in model protein− nucleic acid contacts. Spectroscopic and quantum chemical approach SP Samijlenko, YP Yurenko, AV Stepanyugin, DM Hovorun The Journal of Physical Chemistry B 114 (3), 1454-1461, 2010 | 76 | 2010 |
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 | 75 | 2012 |
How many conformers determine the thymidine low-temperature matrix infrared spectrum? DFT and MP2 quantum chemical study YP Yurenko, RO Zhurakivsky, M Ghomi, SP Samijlenko, DM Hovorun The Journal of Physical Chemistry B 111 (32), 9655-9663, 2007 | 74 | 2007 |
On the mechanism of the mutagenic action of 5-bromouracil: a DFT study of uracil and 5-bromouracil in a water cluster VI Danilov, T van Mourik, N Kurita, H Wakabayashi, T Tsukamoto, ... The Journal of Physical Chemistry A 113 (11), 2233-2235, 2009 | 71 | 2009 |
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 |
Novel view on the mechanism of water-assisted proton transfer in the DNA bases: bulk water hydration A Furmanchuk, O Isayev, L Gorb, OV Shishkin, DM Hovorun, ... Physical Chemistry Chemical Physics 13 (10), 4311-4317, 2011 | 69 | 2011 |
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 | 68 | 2013 |