Computational Modelling of Biological Processes

The Laboratory of Computational Modeling of Biological Processes was founded in 2007 based on the Laboratory of Organ Specific Proteins. The main priority of the laboratory is the application of modern methods of structural bioinformatics and computational biology for the modeling and in silico analysis of the processes of protein-protein, protein-ligand interaction, and its regulation. The study of the tubulin-cytostatic drug interaction in the laboratory had important practical implications for elucidating the molecular mechanisms of genetically determined FMF (Familial Mediterranean Fever). Investigation of tubulin cytostatics interaction has severe consequences in terms of practical use in the case of genetically determined FMF treatment. Recent research has focused on the detailed in silico analysis of different domains and motifs of the pyrin protein, mutations of which are responsible for the manifestation of FMF by/with apoptosis factors. It revealed new ways to control FMF development. Research is also being carried out to model the tertiary structure of proteins that are important in the development of various viral diseases (African swine fever virus, SARS-CoV-2 virus) and cancer, interactions with other proteins, and molecular mechanisms of disease. Our laboratory has developed its workflow for carrying out experiments, in which almost all structural bioinformatics approaches are applied, including the drug design tools. The laboratory is also engaged in improving the work of algorithms widely used in computer experiments. In the research process, the own computer cluster and the capabilities of internationally available supercomputers are used.