| 1 |
Effect of Microenvironment on the Geometrical Structure of d(A)(5 )d(T)(5) and d(G)(5) d(C)(5) DNA Mini-Helixes and the Dickerson Dodecamer: A Density Functional Theory Study
Gorb L, Pekh A, Nyporko A, Ilchenko M, Golius A, Zubatiuk T, Zubatyuk R, Dubey I, Hovorun DM, Leszczynski J
Journal of Physical Chemistry B, 124(42), 9343, 2020 |
| 2 |
Structural, energetic and tautomeric properties of the T.T*/T*.T DNA mismatch involving mutagenic tautomer of thymine: A QM and QTAIM insight
Brovarets' OO, Zhurakivsky RO, Hovorun DM
Chemical Physics Letters, 592, 247, 2014 |
| 3 |
The physico-chemical mechanism of the tautomerisation via the DPT of the long Hyp*center dot Hyp Watson-Crick base pair containing rare tautomer: A QM and QTAIM detailed look
Brovarets OO, Zhurakivsky RO, Hovorun DM
Chemical Physics Letters, 578, 126, 2013 |
| 4 |
Optical Response of the Polynucleotides-Proteins Interaction
Yashchuk VM, Kudrya VY, Levchenko SM, Tkachuk ZY, Hovorun DM, Mel'nik VI, Vorob'yov VP, Klishevich GV
Molecular Crystals and Liquid Crystals, 535(1), 93, 2011 |
| 5 |
Tautomeric Equilibrium of Uracil and Thymine in Model Protein-Nucleic Acid Contacts. Spectroscopic and Quantum Chemical Approach
Samijlenko SP, Yurenko YP, Stepanyugin AV, Hovorun DM
Journal of Physical Chemistry B, 114(3), 1454, 2010 |
| 6 |
On the Mechanism of the Mutagenic Action of 5-Bromouracil: A DFT Study of Uracil and 5-Bromouracil in a Water Cluster
Danilov VI, van Mourik T, Kurita N, Wakabayashi H, Tsukamoto T, Hovorun DM
Journal of Physical Chemistry A, 113(11), 2233, 2009 |
| 7 |
Ab Initio Kinetic Simulation of Gas-Phase Experiments: Tautomerization of Cytosine and Guanine
Kosenkov D, Kholod Y, Gorb L, Shishkin O, Hovorun DM, Mons M, Leszczynski J
Journal of Physical Chemistry B, 113(17), 6140, 2009 |
| 8 |
Ab initio comprehensive conformational analysis of 2'-Deoxyuridine, the biologically significant DNA minor nucleoside, and reconstruction of its low-temperature matrix infrared spectrum
Yurenko YP, Zhurakivsky RO, Ghomi M, Samifflenko SP, Hovorun DM
Journal of Physical Chemistry B, 112(4), 1240, 2008 |
| 9 |
The whole of intramolecular H-bonding in the isolated DNA nucleoside thymidine. AIM electron density topological study
Yurenko YP, Zhurakivsky RO, Samijlenko SP, Ghomi M, Hovorun DM
Chemical Physics Letters, 447(1-3), 140, 2007 |
| 10 |
Comprehensive conformational analysis of the nucleoside analogue 2'-beta-deoxy-6-azacytidine by DFT and MP2 calculations
Yurenko YP, Zhurakivsky RO, Ghomi M, Samijlenko SP, Hovorun DM
Journal of Physical Chemistry B, 111(22), 6263, 2007 |
