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 |
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 |
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 | 95 | 2011 |
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 | 74 | 2012 |
Exploring non-covalent interactions in guanine-and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approach YP Yurenko, J Novotný, V Sklenář, R Marek Physical Chemistry Chemical Physics 16 (5), 2072-2084, 2014 | 73 | 2014 |
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 | 73 | 2007 |
Ab initio comprehensive conformational analysis of 2 ‘-deoxyuridine, the biologically significant DNA minor nucleoside, and reconstruction of its low-temperature matrix … YP Yurenko, RO Zhurakivsky, M Ghomi, SP Samijlenko, DM Hovorun The Journal of Physical Chemistry B 112 (4), 1240-1250, 2008 | 64 | 2008 |
Comprehensive conformational analysis of the nucleoside analogue 2 ‘-β-deoxy-6-azacytidine by DFT and MP2 calculations YP Yurenko, RO Zhurakivsky, M Ghomi, SP Samijlenko, DM Hovorun The Journal of Physical Chemistry B 111 (22), 6263-6271, 2007 | 62 | 2007 |
The whole of intramolecular H-bonding in the isolated DNA nucleoside thymidine. AIM electron density topological study YP Yurenko, RO Zhurakivsky, SP Samijlenko, M Ghomi, DM Hovorun Chemical Physics Letters 447 (1-3), 140-146, 2007 | 60 | 2007 |
Complete conformational space of the potential HIV-1 reverse transcriptase inhibitors d4U and d4C. A quantum chemical study AG Ponomareva, YP Yurenko, RO Zhurakivsky, T Van Mourik, ... Physical Chemistry Chemical Physics 14 (19), 6787-6795, 2012 | 57 | 2012 |
Structural and energetic properties of the potential HIV-1 reverse transcriptase inhibitors d4A and d4G: A comprehensive theoretical investigation AG Ponomareva, YP Yurenko, RO Zhurakivsky, T Mourik, DM Hovorun Journal of Biomolecular Structure and Dynamics 32 (5), 730-740, 2014 | 29 | 2014 |
Nucleic acid quadruplexes based on 8-Halo-9-deazaxanthines: energetics and noncovalent interactions in quadruplex stems YP Yurenko, J Novotny, MP Mitoraj, V Sklenar, A Michalak, R Marek Journal of Chemical Theory and Computation 10 (12), 5353-5365, 2014 | 25 | 2014 |
Mutations at hypothetical binding site 2 in insulin and insulin-like growth factors 1 and 2 result in receptor- and hormone-specific responses. JJ Macháčková K, Mlčochová K, Potalitsyn P, Hanková K, Socha O, Buděšínský M ... Journal of Biological Chemistry 294 (46), 17371-17382, 2019 | 23 | 2019 |
Tailoring the properties of quadruplex nucleobases for biological and nanomaterial applications J Novotný, YP Yurenko, P Kulhánek, R Marek Physical Chemistry Chemical Physics 16 (29), 15241-15248, 2014 | 21 | 2014 |
Anion–π Interactions in Flavoproteins Involve a Substantial Charge‐Transfer Component YP Yurenko, S Bazzi, R Marek, J Kozelka Chemistry–A European Journal 23 (14), 3246-3250, 2017 | 20 | 2017 |
Designing a New Class of Bases for Nucleic Acid Quadruplexes and Quadruplex‐Active Ligands S Bazzi, J Novotný, YP Yurenko, R Marek Chemistry–A European Journal 21 (26), 9414-9425, 2015 | 20 | 2015 |
Weak Supramolecular Interactions Governing Parallel and Antiparallel DNA Quadruplexes: Insights from Large‐Scale Quantum Mechanics Analysis of Experimentally Derived Models YP Yurenko, J Novotný, R Marek Chemistry–A European Journal 23 (23), 5573-5584, 2017 | 15 | 2017 |
Nucleotides containing variously modified sugars: energetics, structure, and mechanical properties YP Yurenko, J Novotný, TY Nikolaienko, R Marek Physical Chemistry Chemical Physics 18 (3), 1615-1628, 2016 | 7 | 2016 |
Substituting CF2 for O4′ in Components of Nucleic Acids: Towards Systems with Reduced Propensity to Form Abasic Lesions YP Yurenko, J Novotný, V Sklenář, R Marek Chemistry–A European Journal 21 (49), 17933-17943, 2015 | 7 | 2015 |