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Information × Registration Number 0223U003520, 0121U111980 , R & D reports Title Influence of self-assembly and confinement on the properties of biomolecular systems popup.stage_title Head Shmotolokha Volodymyr I., Кандидат фізико-математичних наук Registration Date 19-05-2023 Organization Institute of Condensed Matter Physics of the National Academy of Sciences of Ukraine popup.description2  Extension of Wertheim’s thermodynamic perturbation theory and it’s combination with the scaled particle theory, and Flory-Stockmayer theory for polymerization is proposed and applied to study the phase behavior, percolation and the cluster size distributions of globular proteins in random porous media. Since the particles in a living cell are different in size, energy, charge, and many other characteristics, it is proposed to use such a coarse-grained model to mimic and predict the properties of globular proteins in the cell environment. The influence of the porous medium polydispersity on the phase behavior, connectivity, percolation properties, and cluster size distributions was investigated. It is shown that polydispersity increases the critical temperature and density narrowing down the region of gas-liquid phase coexistence. The percolation phase is expanding, and the cluster phase is narrowing. It is also shown that polydispersity slightly weakens cluster formation. The effect of self-assemblying of the model, which is clearly manifested at low temperatures, is studied, i.e., the fraction of connected particles at low temperatures goes to 1, and the fraction of free ones goes to zero. Also, this developed formalism is generalized to the case of non-spherical proteins - monoclonal antibodies (immunoglobulins). At a qualitative level, the results are similar to the case of globular proteins. However, from a quantitative point of view, phase transitions occur at lower temperatures and much lower densities. Product Description popup.authors Hvozd Taras V. popup.nrat_date 2023-05-19 Close