Quantum mechanics of biomolecules


Biomolecule quantum mechanics

Search physicochemical foundations for the specificity of interaction between components of nucleoprotein complexes; establishment of the role of tautomerism and conformational variability of nucleic acid components. Research by computational physics methods of physicochemical properties of DNA, RNA, their components and protein-nucleic complexes; search for physicochemical mechanisms responsible of DNA, RNA stability.


Assoc. Prof. Ivan Voiteshenko isvoiteshenko@knu.ua

Head of department Alex Nyporko (a_nyporko@knu.ua)

Selected publications:

  1. Mechanisms of regulation of motility of the gastrointestinal tract and the hepatobiliary system under the chronic action of nanocolloids Tsymbalyuk, O.V., Davydovska, T.L., Naumenko, A.M., Ivan S. Voiteshenko, Kozolup, M.S., Skryshevsky, V.A. Scientific Reports, 2023, 13(1), 3823

  2. Dmytro Hovorun, M., Ivan Voiteshenko, S., Gorb, L. (2023) Manifestations of intramolecular H-bonds of CH… O and OH… C type in quercetin molecule: Analysis of IR spectra by mean of density functional theory Spectrochimica Acta – Part A: Molecular and Biomolecular Spectroscopy, 287, 122065

  3. Kanevskii, V., Kolienov, S., Grygoruk, V., Ivan S. Voiteshenko, Zhang, H., Fu, H. (2023) Enhanced technique for photochemical nano-polishing of a rough quartz surface: the numerical calculation of profile evolution, Applied Optics, 62(8), pp. 2100–2108

  4. Tsymbalyuk, O., Davydovska, T., Lisnyak, V., Ivan S. Voiteshenko, Naumenko, A., Skryshevsky, V. ZnO and TiO2 (2021) Nanocolloids: State of Mechanisms that Regulating the Motility of the Gastrointestinal Tract and the Hepatobiliary System ACS Omega, 6(37), pp. 23960–23976

  5. Gorb L., Pekh A., Nyporko A., Ilchenko M., Golius A., Zubatiuk T., Zubatyuk R., Dubey I., Hovorun D.M., Leszczynski J. (2020) 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 // The Journal of Physical Chemistry B Vol. 124, N. 42. P. 9343-9353.

  6. Lozovski V.Nyporko A.Yu.Piatnytsia V. (2015) The physical model of the long-range biological nano-objects recognition // Journal of Bionanoscience. Vol. 9, N. 2. P. 112-119.

  7. Zubatiuk, T., Kukuev, M.A., Korolyova, A.S.Gorb, L.Nyporko, A., Hovorun, D., Leszczynski, J. (2015) Structure and binding energy of double-stranded a-dna mini-helices: quantum-chemical study // The Journal of Physical Chemistry B Vol. 115, N. 40. P. 12741-12749.


Quantum mechanics of biomolecules