On March 17-19, 2026, the international satellite symposium and workshop "Applied Problems of Theoretical and Computational Biophysics" was held at the M.M. Bogolyubov Institute for Theoretical Physics of the NAS of Ukraine, organized under the auspices and with the support of the American Physical Society (APS) as an accompanying event to the APS Global Physics Summit 2026.
The event was held in a hybrid format (offline and online), which allowed researchers from different countries around the world to unite. Alongside international participants, a significant part of the audience consisted of scientists from leading Ukrainian scientific centers — Kyiv, Lviv, and Kharkiv. The symposium's topics covered modern problems of theoretical and computational biophysics, physics of biomolecules, bionanomaterials, quantum informatics, as well as modern experimental and spectroscopic methods for studying biological systems.
Leading scientists from Ukraine and other countries gave invited lectures. Professor Aleksei Aksimentiev (University of Illinois Urbana-Champaign, USA) presented results of computer modeling of DNA nanostructures and demonstrated the possibility of creating molecular motors and turbines based on them. The obtained results are important for the development of sequencing methods and bionanotechnologies.
Professor Francesca Mocci (University of Cagliari, Italy) presented results of molecular dynamics modeling of structural and dynamic properties of DNA G-quadruplexes. The interaction of drugs with these molecular structures and their impact on quadruplex stability were studied. The influence of metal ions and water on the structural and dynamic properties of the system was discussed separately.
The I.R. Yukhnovsky Institute of Condensed Matter Physics of the NAS of Ukraine (Lviv) was represented by several reports. Doctor of Physical and Mathematical Sciences Taras Patsagan presented results of modeling cell interactions with dynamic microstructured adhesive surfaces. The obtained results are important for applications in cell sorting. Doctor of Physical and Mathematical Sciences Andriy Baumketner reported on modeling the structure and dynamics of biomolecular complexes, particularly protein aggregation processes and amyloid fibril formation. Doctor of Physical and Mathematical Sciences Viktoriya Blavatska reported on modeling branched biopolymers using a generalized lattice model. Within this approach, it was shown that the adsorption properties of branched polymers are determined by the geometry of their architecture and the "bridge" effect, where one particle can bind neighboring polymer branches.
Corresponding Member of the NAS of Ukraine Khrystyna Hnatenko (Ivan Franko National University of Lviv) presented research on quantum informational properties of multi-qubit states corresponding to oriented graphs. The report discussed the possibility of applying quantum programming in modeling biological macromolecules.
The M.M. Bogolyubov Institute for Theoretical Physics of the NAS of Ukraine (Kyiv) was represented by several reports from its scientists. In particular, Doctor of Physical and Mathematical Sciences Serhiy Perepelitsa reported results of modeling the structure and dynamics of DNA, including mechanisms of forming various metal complexes of nucleic acids. The obtained results are important for the application of DNA systems with counterions as novel functional materials. Doctor of Physical and Mathematical Sciences Larisa Bryzhyk considered mechanisms of energy transfer in biomolecules. In particular, it was shown that effective long-range electron transport in "donor-biopolymer-acceptor" systems can occur due to the formation of soliton-like states in the biopolymer chain. Yevhen Osokin and Polina Kanevska also presented results of their research.
Representatives of the Department of Physics of Biological Systems from the Institute of Physics of the NAS of Ukraine (Kyiv) spoke. Doctor of Physical and Mathematical Sciences Halyna Dovbeshko presented results of studies on structural changes in biomacromolecules using modern spectroscopic methods. Special attention was given to the analysis of biomolecule interactions with heavy metals. Doctor of Physical and Mathematical Sciences Olena Hnatyuk presented experimental studies of mechanical properties of cells using micropipette aspiration. It was shown that changes in the mechanical properties of the cell membrane are associated with the metastatic activity of tumor cells and can serve as informative markers for diagnosis and assessment of metastatic potential. PhD student Taras Voytsitsky also presented a report concerning the application of machine learning methods in biomolecular modeling.
Professor Anna Shestopalova spoke about biophysical research conducted at the O.Ya. Usikov Institute of Radiophysics and Electronics of the NAS of Ukraine (Kharkiv). In her report, she presented research results showing that molecular docking and molecular dynamics methods are effective tools for virtual screening and drug repurposing against SARS-CoV-2.
Representatives of the Department of Molecular Biophysics from the B.I. Verkin Institute for Low Temperature Physics and Engineering of the NAS of Ukraine (Kharkiv) spoke. Corresponding Member of the NAS of Ukraine Viktor Karachevsev reported on experimental results and DFT calculations for interactions of nucleotides with edges and defect sites of MoS2 quantum dots. Doctor of Physical and Mathematical Sciences Marina Kosevich in her report presented results showing experimentally and theoretically the possibility of forming stable molecular complexes in which a molybdenum atom, extracted from the MoS2 crystal lattice, covalently binds with sulfur-containing derivatives of nucleic bases. Doctor of Physical and Mathematical Sciences Vlada Pashynska presented research on interactions of anticancer drugs with MoS2 nanosheets and demonstrated their potential as a nanoplatform for drug delivery, as well as possible MoS2-catalyzed chemical transformations of some drugs.
Taras Shevchenko National University of Kyiv was represented by reports from scientists of the Faculty of Physics. Doctor of Physical and Mathematical Sciences Olena Pavlenko presented quantum-mechanical modeling of π-conjugated molecules and their complexes with nanostructures for the development of functional materials. Young scientists Andriy Lysiuk and Oleksandr Shovkoplias also presented their reports.
The symposium and workshop served as an important platform for discussing modern problems of theoretical and computational biophysics, exchanging new scientific results, and developing international cooperation. The event demonstrated the high scientific potential of Ukrainian researchers and contributed to strengthening the integration of Ukrainian science into the global scientific community. Information about the reports and their extended abstracts is provided in the symposium abstract book. The reports can also be viewed on the Institute's YouTube channel.
According to information from the M.M. Bogolyubov Institute for Theoretical Physics of the NAS of Ukraine
