Department of Molecular and Quantum Biophysics
Department of Molecular and Quantum Biophysics
ϳ imbg.org.ua -
г
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
1562003
Can tautomerization of the AT WatsonCrick base pair via double proton transfer provoke point mutations during DNA replication? A comprehensive QM and
OO Brovarets, DM Hovorun
Journal of Biomolecular Structure and Dynamics 32 (1), 127-154, 2014
1222014
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
1222005
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
1092014
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
1022012
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
932000
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
802011
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
782015
AM1 calculation of the nucleic acid bases structure and vibrational spectra
DN Govorun, VD Danchuk, YR Mishchuk, IV Kondratyuk, NF Radomsky, ...
Journal of molecular structure 267, 99-103, 1992
741992
Why the tautomerization of the GC WatsonCrick base pair via the DPT does not cause point mutations during DNA replication? QM and QTAIM comprehensive
OO Brovarets, DM Hovorun
Journal of Biomolecular Structure and Dynamics 32 (9), 1474-1499, 2014
732014
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
682010
The nature of the transition mismatches with WatsonCrick 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
672015
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
672012
Is the DPT tautomerization of the long A G WatsonCrick 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
662014
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
632009
The physicochemical essence of the purinepyrimidine transition mismatches with Watson-Crick geometry in DNA: AC* versa A*C. A QM and QTAIM atomistic
OO Brovarets, DM Hovorun
Journal of Biomolecular Structure and Dynamics 33 (1), 28-55, 2015
622015
Tautomeric transition between wobble A C DNA base mispair and WatsonCrick-like A C* mismatch: Microstructural mechanism and biological significance
OB Ol'ha, DM Hovorun
Physical Chemistry Chemical Physics 17 (23), 15103-15110, 2015
612015
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
OB Ol'ha, DM Hovorun
Physical Chemistry Chemical Physics 15 (46), 20091-20104, 2013
60*2013
How many tautomerization pathways connect WatsonCrick-like G* T DNA base mispair and wobble mismatches?
OO Brovarets, DM Hovorun
Journal of Biomolecular Structure and Dynamics 33 (11), 2297-2315, 2015
592015
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, 2013
592013
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