All Stories

  1. Novel mechanisms of the conformational transformations of the biologically important G·C nucleobase pairs in Watson–Crick, Hoogsteen and wobble configurationsviathe mutual rotations of the bases around the intermolecular H-bonds: a QM/QTAIM study

    Article • RSC Advances, January 2021, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun

  2. 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

    Article • The Journal of Physical Chemistry B, September 2020, American Chemical Society (ACS)

    Professor Dmytro Mykolayovych Hovorun

  3. Intramolecular tautomerization of the quercetin molecule due to the proton transfer: QM computational study

    Article • PLOS One, November 2019, PLOS

    Professor Dmytro Mykolayovych Hovorun

  4. A new era of the prototropic tautomerism of the quercetin molecule: A QM/QTAIM computational advances

    Article • Journal of Biomolecular Structure and Dynamics, November 2019, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun

  5. Conformational diversity of the quercetin molecule: a quantum-chemical view

    Article • Journal of Biomolecular Structure and Dynamics, September 2019, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun

  6. Conformational transitions of the quercetin molecule via the rotations of its rings: a comprehensive theoretical study

    Article • Journal of Biomolecular Structure and Dynamics, August 2019, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun

  7. Homoribopolynucleotides

    Article • Journal of Biomolecular Structure and Dynamics, July 2018, Taylor & Francis

    Margarita Zarudnaya, Professor Dmytro Mykolayovych Hovorun

  8. Key microstructural mechanisms of the 2-aminopurine mutagenicity: Results of extensive quantum-chemical research

    Article • Journal of Biomolecular Structure and Dynamics, July 2018, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun

  9. Non-dissociative structural transitions of the Watson-Crick and reverse Watson-Crick А·Т DNA base pairs into the Hoogsteen and reverse Hoogsteen forms

    Article • Scientific Reports, July 2018, Springer Science + Business Media

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  10. Novel pathway for mutagenic tautomerization of classical А∙Т DNA base pairs via sequential proton transfer through quasi-orthogonal transition states: A QM/QTAIM investigation

    Article • PLOS One, June 2018, PLOS

    Professor Dmytro Mykolayovych Hovorun

  11. Atomistic mechanisms of the double proton transfer in the H-bonded nucleobase pairs: QM/QTAIM computational lessons

    Article • Journal of Biomolecular Structure and Dynamics, April 2018, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  12. Physico-chemical profiles of the wobble ↔ Watson–Crick G*·2AP(w) ↔ G·2AP(WC) and A·2AP(w) ↔ A*·2AP(WC) tautomerisations: a QM/QTAIM comprehensive survey

    Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  13. The A·T(rWC)/A·T(H)/A·T(rH) ↔ A·T*(rwWC)/A·T*(wH)/A·T*(rwH) mutagenic tautomerizationviasequential proton transfer: a QM/QTAIM study

    Article • RSC Advances, January 2018, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  14. A QM/QTAIM detailed look at the Watson–Crick↔wobble tautomeric transformations of the 2-aminopurine·pyrimidine mispairs

    Article • Journal of Biomolecular Structure and Dynamics, July 2017, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  15. A QM/QTAIM research under the magnifying glass of the DPT tautomerisation of the wobble mispairs involving 2-aminopurine

    Article • New Journal of Chemistry, January 2017, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  16. Structural grounds for the 2-aminopurine mutagenicity: a novel insight into the old problem of the replication errors

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  17. Wobble↔Watson-Crick tautomeric transitions in the homo-purine DNA mismatches: a key to the intimate mechanisms of the spontaneous transversions

    Article • Journal of Biomolecular Structure and Dynamics, November 2015, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  18. Structure and Binding Energy of Double-Stranded A-DNA Mini-helices: Quantum-Chemical Study

    Article • The Journal of Physical Chemistry B, October 2015, American Chemical Society (ACS)

    Professor Dmytro Mykolayovych Hovorun

  19. How Do Long Improper Purine-Purine Pairs of DNA Bases Adapt The Enzymatycally Competent Conformation? Structural Mechanism And Its Quantum-Mechanical Grounds

    Article • Ukrainian Journal of Physics, August 2015, Co. Ltd. Ukrinformnauka

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  20. How many tautomerization pathways connect Watson–Crick-like G*·T DNA base mispair and wobble mismatches?

    Article • Journal of Biomolecular Structure and Dynamics, June 2015, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  21. Structural Waters in the Minor and Major Grooves of DNA—A Major Factor Governing Structural Adjustments of the A–T Mini-Helix

    Article • The Journal of Physical Chemistry B, January 2015, American Chemical Society (ACS)

    Professor Jerzy Leszczynski, Professor Dmytro Mykolayovych Hovorun

  22. Tautomeric transition between wobble A·C DNA base mispair and Watson–Crick-like A·C* mismatch: microstructural mechanism and biological significance

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  23. Novel physico-chemical mechanism of the mutagenic tautomerisation of the Watson–Crick-like A·G and C·T DNA base mispairs: a quantum-chemical picture

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  24. A novel conception for spontaneous transversions caused by homo-pyrimidine DNA mismatches: a QM/QTAIM highlight

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  25. New structural hypostases of the A·T and G·C Watson–Crick DNA base pairs caused by their mutagenic tautomerisation in a wobble manner: a QM/QTAIM prediction

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  26. Quantum-сhemical analysis of geometric and energetic characteristics of hetero associates m9Ade•m1Ura in main tautomeric form

    Article • Studia Biologica, January 2015, Ivan Franko National University of Lviv

    Professor Dmytro Mykolayovych Hovorun

  27. JANPA: An open source cross-platform implementation of the Natural Population Analysis on the Java platform

    Article • Computational and Theoretical Chemistry, December 2014, Elsevier

    Professor Dmytro Mykolayovych Hovorun

  28. 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 investigation

    Article • Journal of Biomolecular Structure and Dynamics, October 2014, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  29. Does the G·G*synDNA mismatch containing canonical and rare tautomers of the guanine tautomerise through the DPT? A QM/QTAIM microstructural study

    Article • Molecular Physics, June 2014, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  30. 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

    Article • Journal of Biomolecular Structure and Dynamics, June 2014, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  31. In SilicoKinetics and Mechanism of Interaction ofcis-2-Butene-1,4-dial with 2′-Deoxycytidine

    Article • Chemical Research in Toxicology, June 2014, American Chemical Society (ACS)

    Professor Jerzy Leszczynski, Professor Dmytro Mykolayovych Hovorun

  32. Interaction of 2'-deoxyguanosine with cis-2-butene-1,4-dial: Computational approach to analysis of multistep chemical reactions

    Article • Biopolymers and Cell, May 2014, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  33. DPT tautomerisation of the wobble guanine·thymine DNA base mispair is not mutagenic: QM and QTAIM arguments

    Article • Journal of Biomolecular Structure and Dynamics, March 2014, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  34. Structural insight into HIV-1 reverse transcription initiation in MAL-like templates (CRF01_AE, subtype G and CRF02_AG)

    Article • Journal of Biomolecular Structure and Dynamics, February 2014, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun

  35. Homodimers of Cytosine and 1-MethylCytosine. A DFT study of geometry, relative stability and H-NMR shifts in gas-phase and selected solvents

    Article • Journal of Molecular Modeling, February 2014, Springer Science + Business Media

    Professor Jerzy Leszczynski, Professor Dmytro Mykolayovych Hovorun

  36. Phylogenetic study on structural elements of HIV-1 poly(A) region. 2. USE domain and TAR hairpin

    Article • Biopolymers and Cell, January 2014, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  37. A QM/QTAIM microstructural analysis of the tautomerisationviathe DPT of the hypoxanthine·adenine nucleobase pair

    Article • Molecular Physics, January 2014, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  38. Does the tautomeric status of the adenine bases change upon the dissociation of the A*·Asyn Topal–Fresco DNA mismatch? A combined QM and QTAIM atomistic insight

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  39. DPT tautomerisation of the G·Asynand A*·G*synDNA mismatches: a QM/QTAIM combined atomistic investigation

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  40. How does the long G·G* Watson–Crick DNA base mispair comprising keto and enol tautomers of the guanine tautomerise? The results of a QM/QTAIM investigation

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  41. Structural, energetic and tautomeric properties of the T·T∗/T∗·T DNA mismatch involving mutagenic tautomer of thymine: A QM and QTAIM insight

    Article • Chemical Physics Letters, January 2014, Elsevier

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  42. 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

    Article • Journal of Computational Chemistry, December 2013, Wiley

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  43. The physicochemical essence of the purine·pyrimidine transition mismatches with Watson-Crick geometry in DNA: A·C*versaA*·C. A QM and QTAIM atomistic understanding

    Article • Journal of Biomolecular Structure and Dynamics, November 2013, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  44. Phylogenetic study on structural elements of HIV-1 poly(A) region. 1. PolyA and DSE hairpins

    Article • Biopolymers and Cell, November 2013, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  45. The secondary structure of HIV-1 pre-mRNA polyadenylation site

    Article • Journal of Biomolecular Structure and Dynamics, October 2013, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Margarita Zarudnaya

  46. Atomistic understanding of the C·T mismatched DNA base pair tautomerization via the DPT: QM and QTAIM computational approaches

    Article • Journal of Computational Chemistry, August 2013, Wiley

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  47. Why the tautomerization of the G·C Watson–Crick base pairviathe DPT does not cause point mutations during DNA replication? QM and QTAIM comprehensive analysis

    Article • Journal of Biomolecular Structure and Dynamics, August 2013, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  48. Prototropic tautomerism and basic molecular principles of hypoxanthine mutagenicity: an exhaustive quantum-chemical analysis

    Article • Journal of Biomolecular Structure and Dynamics, August 2013, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  49. 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

    Article • Chemical Physics Letters, July 2013, Elsevier

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  50. Structural and energetic properties of the potential HIV-1 reverse transcriptase inhibitors d4A and d4G: a comprehensive theoretical investigation

    Article • Journal of Biomolecular Structure and Dynamics, June 2013, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun

  51. Intermolecular CH···O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study

    Article • Journal of Biomolecular Structure and Dynamics, June 2013, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  52. 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

    Article • Journal of Molecular Modeling, May 2013, Springer Science + Business Media

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  53. Parameterization of the hydration free energy computations for organic solutes in the framework of the implicit solvent model with the nonuniform dielectric function

    Article • Computational and Theoretical Chemistry, April 2013, Elsevier

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  54. Can tautomerization of the A·T Watson–Crick base pairviadouble proton transfer provoke point mutations during DNA replication? A comprehensive QM and QTAIM analysis

    Article • Journal of Biomolecular Structure and Dynamics, February 2013, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  55. The physico-chemical “anatomy” of the tautomerization through the DPT of the biologically important pairs of hypoxanthine with DNA bases: QM and QTAIM perspectives

    Article • Journal of Molecular Modeling, January 2013, Springer Science + Business Media

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  56. B-DNA characteristics are preserved in double stranded d(A)3·d(T)3 and d(G)3·d(C)3 mini-helixes: conclusions from DFT/M06-2X study

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Jerzy Leszczynski, Professor Dmytro Mykolayovych Hovorun

  57. DPT tautomerisation of the biologically important C·C* DNA base mispair

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  58. Evaluation of antibacterial and antiviral activity of N-arylamides of 9-methyl and 9-methoxyphenazine-1-carboxylic acids – inhibitors of the phage T7 model transctiption

    Article • Biopolymers and Cell, November 2012, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  59. Can DNA-binding proteins of replisome tautomerize nucleotide bases?Ab initiomodel study

    Article • Journal of Biomolecular Structure and Dynamics, April 2012, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  60. Interaction of 2′-Deoxyadenosine withcis-2-Butene-1,4-dial: Computational Approach to Analysis of Multistep Chemical Reactions

    Article • The Journal of Physical Chemistry A, March 2012, American Chemical Society (ACS)

    Professor Jerzy Leszczynski, Professor Dmytro Mykolayovych Hovorun

  61. Bridging QTAIM with vibrational spectroscopy: the energy of intramolecular hydrogen bonds in DNA-related biomolecules

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun

  62. Complete conformational space of the potential HIV-1 reverse transcriptase inhibitors d4U and d4C. A quantum chemical study

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Tanja van Mourik, Professor Dmytro Mykolayovych Hovorun

  63. Structural flexibility of DNA-like conformers of canonical 2′-deoxyribonucleosides

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Professor Dmytro Mykolayovych Hovorun

  64. Erratum to: To the article “Quantum Mechanical Interpretation of the IR Spectrum of 2-Deoxy-D-ribose in the OH Group Stretching Vibration Region” by T. Yu. Nikolaenko, L. A. Bulavin, and D. N. Govorun, Vol. 78, No. 5, pp. 751–754, November, 2011.

    Article • Journal of Applied Spectroscopy, January 2012, Springer Science + Business Media

    Professor Dmytro Mykolayovych Hovorun

  65. IR Vibrational spectra of H-bonded complexes of adenine, 2-aminopurine and 2-aminopurine+ with cytosine and thymine: Quantum-chemical study

    Article • Optics and Spectroscopy, November 2011, Pleiades Publishing Ltd

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  66. Optical Response of the Polynucleotides-Proteins Interaction

    Article • Molecular Crystals and Liquid Crystals, March 2011, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun

  67. Analysis of 2-deoxy-D-ribofuranose molecule conformational capacity with the quantum-mechanical density functional method

    Article • Biopolymers and Cell, January 2011, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  68. Novel view on the mechanism of water-assisted proton transfer in the DNA bases: bulk water hydration

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Professor Jerzy Leszczynski, Professor Dmytro Mykolayovych Hovorun, Dr Olexandr Isayev

  69. Чи є адекватним іонізаційний механізм спонтанних транзицій? Квантово-хімічне дослідження

    Article • Biopolymers and Cell, September 2010, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  70. Stability of mutagenic tautomers of uracil and its halogen derivatives: the results of quantum-mechanical investigation

    Article • Biopolymers and Cell, July 2010, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  71. Tautomeric Equilibrium of Uracil and Thymine in Model Protein−Nucleic Acid Contacts. Spectroscopic and Quantum Chemical Approach

    Article • The Journal of Physical Chemistry B, January 2010, American Chemical Society (ACS)

    Professor Dmytro Mykolayovych Hovorun

  72. How stable are the mutagenic tautomers of DNA bases?

    Article • Biopolymers and Cell, January 2010, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun, Ol'ha Brovarets'

  73. Experimental And Calculated By The DFT Method Vibration Spectra Of Berberine

    Article • January 2010, American Institute of Physics

    Professor Dmytro Mykolayovych Hovorun

  74. Study on models of O2 binding to heme using density functional theory

    Article • Biopolymers and Cell, July 2009, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun, Professor Boris F Minaev

  75. Ab Initio Kinetic Simulation of Gas-Phase Experiments: Tautomerization of Cytosine and Guanine

    Article • The Journal of Physical Chemistry B, April 2009, American Chemical Society (ACS)

    Professor Jerzy Leszczynski, Professor Dmytro Mykolayovych Hovorun

  76. On the Mechanism of the Mutagenic Action of 5-Bromouracil: A DFT Study of Uracil and 5-Bromouracil in a Water Cluster

    Article • The Journal of Physical Chemistry A, March 2009, American Chemical Society (ACS)

    Professor Dmytro Mykolayovych Hovorun

  77. DFT study on the Raman spectra of Fe(II)-porphin

    Article • Biopolymers and Cell, January 2009, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun, Professor Boris F Minaev

  78. The Peculiarities of the RNA Luminescence

    Article • Molecular Crystals and Liquid Crystals, December 2008, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun

  79. Conformational possibilities of uridine: DFT quantum mechanical investigation

    Article • Biopolymers and Cell, March 2008, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  80. Detection of two different protonated forms of poly(C) by electrophoresis method

    Article • Biopolymers and Cell, January 2008, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  81. Ab Initio Comprehensive Conformational Analysis of 2‘-Deoxyuridine, the Biologically Significant DNA Minor Nucleoside, and Reconstruction of Its Low-Temperature Matrix Infrared Spectrum

    Article • The Journal of Physical Chemistry B, January 2008, American Chemical Society (ACS)

    Professor Dmytro Mykolayovych Hovorun

  82. Investigation of infrared spectrum of Fe(II) porphin in different spin states by quantum chemical density functional theory

    Article • Biopolymers and Cell, November 2007, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun, Professor Boris F Minaev

  83. The whole of intramolecular H-bonding in the isolated DNA nucleoside thymidine. AIM electron density topological study

    Article • Chemical Physics Letters, October 2007, Elsevier

    Professor Dmytro Mykolayovych Hovorun

  84. How Many Conformers Determine the Thymidine Low-Temperature Matrix Infrared Spectrum? DFT and MP2 Quantum Chemical Study

    Article • The Journal of Physical Chemistry B, August 2007, American Chemical Society (ACS)

    Professor Dmytro Mykolayovych Hovorun

  85. Які внутрішньомолекулярні водневі зв’язки стабілізують конформери дезоксиаденозину? Результати квантово-хімічного аналізу топології електронної густини

    Article • Biopolymers and Cell, July 2007, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  86. Comprehensive Conformational Analysis of the Nucleoside Analogue 2‘-β-Deoxy-6-azacytidine by DFT and MP2 Calculations

    Article • The Journal of Physical Chemistry B, June 2007, American Chemical Society (ACS)

    Professor Dmytro Mykolayovych Hovorun

  87. The updated picture of spontaneous mutagenesis could involve DNA bases tautomerism

    Article • Biopolymers and Cell, May 2007, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  88. Does non-empirical quantum chemistry allow understanding nature of purine-purine mismatches formation by high fidelity DNA polymerases?

    Article • Biopolymers and Cell, May 2007, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  89. Электрофоретическое исследование конформационных переходов в поли(G) под действием моновалентных катионов

    Article • Biopolymers and Cell, March 2007, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  90. Non-empirical quantum-chemical study of various structural forms of berberin alkaloid

    Article • Biopolymers and Cell, January 2007, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  91. Complete conformational analysis of deoxyadenosine by density functional theory

    Article • Biopolymers and Cell, January 2007, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  92. Berberine alkaloid: Quantum chemical study of different forms by the DFT and MP2 methods

    Article • Chemical Physics Letters, October 2006, Elsevier

    Professor Dmytro Mykolayovych Hovorun

  93. Comprehensive conformational analysis of 2'-deoxyuridine by quantum-chemical density functional method

    Article • Biopolymers and Cell, September 2006, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  94. To what extent can methyl derivatives be regarded as stabilized tautomers of xanthine?

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, November 2005, Elsevier

    Professor Dmytro Mykolayovych Hovorun

  95. MP2 and DFT studies of the DNA rare base pairs: The molecular mechanism of the spontaneous substitution mutations conditioned by tautomerism of bases

    Article • Chemical Physics Letters, September 2005, Elsevier

    Professor Dmytro Mykolayovych Hovorun

  96. ATR-IR spectroscopy as applied to nucleic acid films

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, July 2005, Elsevier

    Professor Dmytro Mykolayovych Hovorun

  97. The molecular mechanism of the spontaneous substitution mutations caused by tautomerism of bases: Post Hartree-Fock study of the DNA rare base pairs

    Article • Biopolymers and Cell, January 2005, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  98. Bacterial multidrug resistance unrelated to multidrug exporters: cell biology insight

    Article • Cell Biology International, January 2005, Wiley

    Professor Dmytro Mykolayovych Hovorun

  99. Transitions to high tautomeric states can be induced in adenine by interactions with carboxylate and sodium ions: DFT calculation data

    Article • Journal of Molecular Structure, December 2004, Elsevier

    Professor Dmytro Mykolayovych Hovorun

  100. Unusual behavior of cytosine amino group signal in 1H NMR spectra in DMSO depending on its concentration

    Article • July 2004, SPIE

    Professor Dmytro Mykolayovych Hovorun

  101. Tautomeric transition in uracil and thymine nucleosides induced by deprotonated carboxylic group: 1H NMR data

    Article • July 2004, SPIE

    Professor Dmytro Mykolayovych Hovorun

  102. К проблеме множественной лекарственной устойчивости: гипермутабильность как механизм защиты метаболических мишеней бактериальной клетки от цитотоксических ксенобиотиков

    Article • Biopolymers and Cell, May 2004, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  103. Proton acceptor and proton donor properties of modified nucleotide bases and their complexing ability: quantum chemical investigation

    Article • Biopolymers and Cell, March 2004, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  104. Fixation of xanthine prototropic tautomers by methyl group does not practically change their relative energy: a DFT quantum-chemical investigation

    Article • Biopolymers and Cell, September 2003, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  105. Cytosine self-association in anhydrous DMSO through two equivalent H-bonds N1H...O=C2 lowers the barrier of amino group turn: 1H NMR spectroscopy data

    Article • Biopolymers and Cell, July 2003, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  106. Interaction with carboxylate ion in anhydrous DMSO shifts keto-enolic prototropic equilibrium in nucleosides to enolic tautomeric form: 1H NMR spectroscopy data

    Article • Biopolymers and Cell, May 2003, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  107. Conservative structural motifs in the 3' untranslated region of SARS coronavirus

    Article • Biopolymers and Cell, May 2003, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  108. Конформаційний аналіз молекули метисазону: результати напівемпіричних квантовохімічних розрахунків

    Article • Biopolymers and Cell, May 2003, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  109. Downstream elements of mammalian pre-mRNA polyadenylation signals: primary, secondary and higher-order structures

    Article • Nucleic Acids Research, March 2003, Oxford University Press (OUP)

    Professor Dmytro Mykolayovych Hovorun

  110. Структурная модель области димеризации генома вируса иммунодефицита человека HIV-1

    Article • Biopolymers and Cell, January 2003, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  111. Auxiliary elements of mammalian pre-mRNAs polyadenylation signals

    Article • Biopolymers and Cell, November 2002, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  112. Найрізноманітніші точкові контакти електронейтральної та депротонованої карбоксильної групи амінокислот з 2-амінопурином

    Article • Biopolymers and Cell, July 2002, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  113. Infrared absorption spectra of nucleic acids: the attenuated total reflection technique

    Article • Biopolymers and Cell, July 2002, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  114. What Nuclease Cleaves Pre-mRNA in the Process of Polyadenylation?

    Article • IUBMB Life, July 2002, Wiley

    Professor Dmytro Mykolayovych Hovorun

  115. Stabilization of Watson-Crick base pairs of DNA by protonation: quantum-chemical study

    Article • Biopolymers and Cell, May 2002, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  116. Low-frequency Raman spectra of polycrystalline ribonucleosides

    Article • Biopolymers and Cell, May 2002, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  117. STRUCTURAL TRANSITIONS IN POLYCYTIDYLIC ACID: PROTON BUFFER CAPACITY DATA

    Article • Nucleosides Nucleotides & Nucleic Acids, April 2002, Taylor & Francis

    Professor Dmytro Mykolayovych Hovorun

  118. Regulation of DNA base prototropic tautomerism by prolonation: quantum chemical data

    Article • Biopolymers and Cell, March 2002, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  119. Специфічна взаємодія модельної форми депротонованої карбоксильної групи амінокислот з пурином переводить основу в рідкісний таутомер N7H: результати ab initio розрахунків у вакуумі

    Article • Biopolymers and Cell, November 2001, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  120. Cooperative intramolecular H-bonds in quercetine: MNDO/H quantum chemical investigation

    Article • Biopolymers and Cell, May 2001, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  121. Conformational transitions of poly(C) and poly(dC): study by the proton buffer capacity method

    Article • Biopolymers and Cell, November 2000, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  122. Theoretical analysis of low-lying vibrational modes of free canonical 2-deoxyribonucleosides

    Article • Chemical Physics, October 2000, Elsevier

    Oleg Shishkin, Professor Jerzy Leszczynski, Professor Dmytro Mykolayovych Hovorun

  123. Structure and dynamics of 6-azacytidine by MNDO/H quantum-chemical method

    Article • Journal of Molecular Structure, September 2000, Elsevier

    Professor Dmytro Mykolayovych Hovorun

  124. Molecular structure of free canonical 2′-deoxyribonucleosides: a density functional study

    Article • Journal of Molecular Structure, August 2000, Elsevier

    Professor Dmytro Mykolayovych Hovorun

  125. Prototropic molecular–zwitterionic tautomerism of xanthine and hypoxanthine

    Article • Journal of Molecular Structure, May 2000, Elsevier

    Professor Dmytro Mykolayovych Hovorun

  126. Prototropic molecular-zwitterionic tautomerism of xanthine and hypoxanthine: unexpected biological view

    Article • Biopolymers and Cell, March 2000, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  127. Hypothetical Double‐Helical Poly(A) Formation in a Cell and Its Possible Biological Significance

    Article • IUBMB Life, December 1999, Wiley

    Professor Dmytro Mykolayovych Hovorun

  128. Structural peculiarities of 6-azacytosine and its derivatives imply intramolecular H-bonds

    Article • Journal of Molecular Structure, June 1999, Elsevier

    Professor Dmytro Mykolayovych Hovorun

  129. How structural changeability of nitrogen bases affects macroscopic properties of their crystals

    Article • Biopolymers and Cell, September 1998, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  130. Intramolecular hydrogen bonds and structural nonrigidity of pyrimidine nucleosides

    Article • Biopolymers and Cell, July 1998, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  131. The damage of purine bases by oxygen radicals: energetic and structural aspects

    Article • Biopolymers and Cell, November 1997, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  132. Структурні особливості 6-азацитидину та його похідних: дані ПМР та 14 спектроскопії

    Article • Biopolymers and Cell, November 1997, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  133. A low energy cooperative behaviour of biopolyrners is determined by collective vibronic interactions

    Article • Biopolymers and Cell, July 1997, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  134. The prototropic tautomerism of nitrogen bases: a new insight into the old problem

    Article • Biopolymers and Cell, May 1997, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  135. A structural isomerism of nucleotide bases: AMI calculation

    Article • Biopolymers and Cell, March 1997, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  136. Structural-energetic peculiarities of spontaneous examination of canonical nucleotide bases and their modified analogues

    Article • Biopolymers and Cell, January 1997, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  137. A structural-dynamic model on spontaneous semiopen states in DNA

    Article • Biopolymers and Cell, January 1997, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  138. Topological features of potential energy hypersurface of canonical nucleotide bases

    Article • Biopolymers and Cell, September 1996, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  139. Про квантовохімічну природу стереохімічної нежорсткості канонічних нуклеотидних основ

    Article • Biopolymers and Cell, September 1996, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  140. Квантовохімічні розрахунки свідчать – прототропна таутомерія канонічних нуклеотидних основ має молекулярно-цвітеріонний характер. 2. Пурини

    Article • Biopolymers and Cell, January 1996, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  141. The quantum mechanical calculations evidence molecular-zwitterionic features of prototropfc tautomerism of canonical nucleotide bases. 1. Pyrimidines

    Article • Biopolymers and Cell, January 1996, Institute of Molecular Biology and Genetics (NAS Ukraine)

    Professor Dmytro Mykolayovych Hovorun

  142. Oscillation spectra and local symmetry of admixed tetrahedral ReO4 − anions in cesium halide crystals

    Article • Journal of Applied Spectroscopy, May 1992, Springer Science + Business Media

    Professor Dmytro Mykolayovych Hovorun

  143. AM1 calculation of the nucleic acid bases structure and vibrational spectra

    Article • Journal of Molecular Structure, March 1992, Elsevier

    Professor Dmytro Mykolayovych Hovorun

  144. Luminescent properties of S 2 ? impurity molecular anions in Rb2SO4 crystals

    Article • Journal of Applied Spectroscopy, June 1990, Springer Science + Business Media

    Professor Dmytro Mykolayovych Hovorun