Підписатись
Department of Molecular and Quantum Biophysics
Department of Molecular and Quantum Biophysics
Підтверджена електронна адреса в imbg.org.ua - Домашня сторінка
Назва
Посилання
Посилання
Рік
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
1872003
Can tautomerization of the A·T Watson–Crick 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
1562014
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
1442012
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
1362014
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
1342014
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
1292005
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 …
OO Brovarets’, DM Hovorun
Journal of Biomolecular Structure and Dynamics 32 (9), 1474-1499, 2014
1062014
Why the tautomerisation of the G∙ C Watson-Crick base pair via DPT does not cause point mutations during DNA replication? QM and QTAIM comprehensive analysis
OB Ol’ha, DM Hovorun
106*
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
982015
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
962000
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
952011
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
882015
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
782015
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
772015
How many tautomerisation pathways connect Watson-Crick-like G*· T DNA base mispair and wobble mismatches?
OB Ol’ha, DM Hovorun
77*
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
762010
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
742012
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
732007
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
702009
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
692014
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