ИСТИНА

Молекулярное моделирование и визуализация структурной/ функциональной организации кластерной модели липид-липидных взаимодействий в биомембране.

The study will analyze the latest ideas about the structure and functioning of biological membranes. The physicochemical properties of lipids as the main structural component of cell membranes are discussed in detail. A cluster model of cell membrane structure will be described and formalized, which is based on the role of low energy lipid-lipid weak interactions in the intramolecular phase transition conditions of each individual phospholipid molecule. Weak interactions in a group consisting of a sufficiently large number of molecules of certain types of lipids, when certain geometrical conditions are fulfilled, can lead to a significant change in the energy of the system as a whole, which can manifest itself in the emergence of new physical properties of the structure of the biological membrane. These processes can cause the formation of stable topological defects in the membrane, which probably determine its functional state. A mathematical description of the structural and functional organization of the cluster model of lipid-lipid interaction in the biomembrane by molecular dynamics method (NAMD software platform) and Monte Carlo method (BioMOCA software platform) will be proposed on the basis of available experimental data. For animation and analysis of the dynamics of the cluster model of lipid-lipid interaction in the membrane, an interactive model based on the VMD software platform for visualization of large supramolecular systems will be created.