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R. Zhurakivsky · SciRah

Researcher profile · Semantic Scholar

R. Zhurakivsky

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R. Zhurakivsky — researcher profile on SciRah

h-index: 14
Works: 17
Citations: 769

Most-cited papers

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
Yevgen P. Yurenko, R. Zhurakivsky, S. P. Samijlenko, D. Hovorun
2011Journal of Biomolecular Structure and Dynamics99 citations
Semantic Scholar
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
O. O. Brovarets’, R. Zhurakivsky, D. Hovorun
2014Journal of Computational Chemistry66 citations
Semantic Scholar
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.
O. O. Brovarets’, R. Zhurakivsky, D. Hovorun
2014Physical Chemistry, Chemical Physics - PCCP62 citations
Semantic Scholar
Ab initio comprehensive conformational analysis of 2'-deoxyuridine, the biologically significant DNA minor nucleoside, and reconstruction of its low-temperature matrix infrared spectrum.
Yevgen P. Yurenko, R. Zhurakivsky, M. Ghomi, S. P. Samijlenko +1 more
2008Journal of Physical Chemistry B60 citations
Semantic Scholar
How many conformers determine the thymidine low-temperature matrix infrared spectrum? DFT and MP2 quantum chemical study.
Yevgen P. Yurenko, R. Zhurakivsky, M. Ghomi, S. P. Samijlenko +1 more
2007Journal of Physical Chemistry B60 citations
Semantic Scholar
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
O. O. Brovarets’, R. Zhurakivsky, D. Hovorun
2013Journal of Molecular Modeling59 citations
Semantic Scholar
DPT tautomerisation of the wobble guanine·thymine DNA base mispair is not mutagenic: QM and QTAIM arguments
O. O. Brovarets’, R. Zhurakivsky, D. Hovorun
2015Journal of Biomolecular Structure and Dynamics58 citations Open access
Semantic Scholar
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 detailed look
O. O. Brovarets’, R. Zhurakivsky, D. Hovorun
201352 citations
Semantic Scholar
The physico-chemical “anatomy” of the tautomerization through the DPT of the biologically important pairs of hypoxanthine with DNA bases: QM and QTAIM perspectives
O. O. Brovarets’, R. Zhurakivsky, D. Hovorun
2013Journal of Molecular Modeling48 citations
Semantic Scholar
Comprehensive conformational analysis of the nucleoside analogue 2'-beta-deoxy-6-azacytidine by DFT and MP2 calculations.
Yevgen P. Yurenko, R. Zhurakivsky, M. Ghomi, S. P. Samijlenko +1 more
2007Journal of Physical Chemistry B48 citations
Semantic Scholar
Is there adequate ionization mechanism of the spontaneous transitions? Quantum-chemical investigation
O. O. Brovarets’, R. Zhurakivsky, D. Hovorun
201044 citations Open access
Semantic Scholar
Structural, energetic and tautomeric properties of the T·T∗/T∗·T DNA mismatch involving mutagenic tautomer of thymine: A QM and QTAIM insight
O. O. Brovarets’, R. Zhurakivsky, D. Hovorun
201439 citations
Semantic Scholar
Structural and energetic properties of the potential HIV-1 reverse transcriptase inhibitors d4A and d4G: a comprehensive theoretical investigation
A. Ponomareva, Yevgen P. Yurenko, R. Zhurakivsky, T. van Mourik +1 more
2014Journal of Biomolecular Structure and Dynamics31 citations Open access
Semantic Scholar
A QM/QTAIM microstructural analysis of the tautomerisation via the DPT of the hypoxanthine·adenine nucleobase pair
O. O. Brovarets’, R. Zhurakivsky, D. Hovorun
201420 citations
Semantic Scholar
Conformational Landscape of the Nucleoside Reverse Transcriptase Inhibitor d4T: a Comprehensive Quantum-Chemical Approach
A. Ponomareva, Yevgen P. Yurenko, R. Zhurakivsky, T. van Mourik +1 more
201311 citations
Semantic Scholar
VIBRATIONAL SPECTRA OF BERBERINE AND THEIR INTERPRETATION BY MEANS OF DFT QUANTUM-MECHANICAL CALCULATIONS
N. Bashmakova, S. Kutovyy, R. Zhurakivsky, D. Hovorun +2 more
20119 citations
Semantic Scholar
Which intramolecular hygrogen bonds stabilize conformers of deoxyadenosine? The results of quantum-chemical analysis of electron density topology
R. Zhurakivsky, D. Hovorun
20073 citations Open access
Semantic Scholar

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