All Stories

  1. 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'

  2. 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'

  3. 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'

  4. 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'

  5. 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'

  6. 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'

  7. Whether 2-aminopurine induces incorporation errors at the DNA replication? A quantum-mechanical answer on the actual biological issue

    Article • Journal of Biomolecular Structure and Dynamics, December 2016, Taylor & Francis

    Ol'ha Brovarets'

  8. 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'

  9. Whether the amino–imino tautomerism of 2-aminopurine is involved into its mutagenicity? Results of a thorough QM investigation

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

    Ol'ha Brovarets'

  10. 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'

  11. By how many tautomerisation routes the Watson–Crick-like A·C* DNA base mispair is linked with the wobble mismatches? A QM/QTAIM vision from a biological point of view

    Article • Structural Chemistry, November 2015, Springer Science + Business Media

    Ol'ha Brovarets'

  12. Proton tunneling in the A∙T Watson-Crick DNA base pair: myth or reality?

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

    Ol'ha Brovarets'

  13. 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'

  14. 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'

  15. 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'

  16. 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'

  17. 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'

  18. 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'

  19. 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'

  20. 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'

  21. 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'

  22. 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'

  23. 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'

  24. 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'

  25. 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'

  26. 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'

  27. 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'

  28. 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'

  29. 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'

  30. 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'

  31. 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'

  32. 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'

  33. 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'

  34. 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'

  35. 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'

  36. 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'

  37. 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'

  38. 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'

  39. 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'

  40. 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'

  41. 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'

  42. 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'

  43. 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'

  44. 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'