Our research in this area includes:
  • understanding the workings of motor and chaperone proteins, as well as the catalytic mechanisms of enzymes,
  • investigating protein aggregation and amyloid fibril formation, with implications for developing novel nanomaterials,
  • examining the hydration patterns of biomacromolecules, including the influence of small-molecule metabolites (osmolytes) on stability of biomacromolecules and the functioning of anti-freeze proteins,
  • investigating molecular recognition phenomena in protein-protein, protein-DNA, and protein-ligand systems, with a particular focus on understanding how transcription factors and other proteins recognize DNA sequences,
  • examining the conformational equilibrium of biomacromolecules, including non-canonical G-quadruplex DNA structures,
  • characterizing phospholipid membranes and the processes occurring within them at a molecular level.
These investigations employ a wide array of experimental techniques (such as FTIR spectroscopy, calorimetry, AFM, etc.) and computational approaches (including classical molecular dynamics, QM/MM ab initio molecular dynamics, and quantum chemical calculations).
Our research in this area includes:
  • determining and interpreting excess thermodynamic properties of solutions, e.g., molar volumes, compressibilities, viscosities, refractive indices, etc.,
  • determining the physicochemical properties of deep eutectic solvents and ionic liquids and their mixtures with molecular solvents, including determining the sorption capacity of carbon dioxide,
  • modeling the properties of ionic liquids important in technological applications, such as carbon dioxide sorption capacity and extraction properties,
  • designing solvent systems that can be used in the dissolution of drugs and other biologically active substances,
  • investigating the influence of water on the structure and properties of deep eutectic solvents, ionic liquids and other solvent mixtures,
  • investigating the structure and dynamics of deep eutectic solvents, ionic liquids and other solvent mixtures observed at the molecular level.
The above research is conducted using both experimental methods (FTIR spectroscopy, measurements of solubility, density, speed of sound, etc.) and computational approaches (chemoinformatics modeling using neural networks, classical molecular dynamics, ab initio molecular dynamics, quantum chemical calculations).
Our research in this area includes:
  • application of Dynamic Electrochemical Impedance Spectroscopy (DEIS) to monitor the operation of flow batteries in real-time; the research is conducted in both two-electrode and three-electrode systems,
  • modernization of cells using 3D printing,
  • determination of the state of charge/discharge of the cell as well as individual half-cells (disbalancing).