A large-grained model of a lipid bilayer is analyzed in the article. The parameters of the intramolecular potentials of coarse-grained dipalmitoilphosphatidilcholine (DpPC) molecule are determined by adjusting to its mechanical properties evaluated by quantum-chemical calculations from first principles. Physicochemical properties of the bilayer obtained by the offered model are in good agreement with the experimental results.
Author Biographies
Anastasia Vladimirovna Ivanova, South Ural State University
postgraduate student, General and Theoretical Physics Department
Valeriy Petrovich Beskachko, South Ural State University
Dr. Sc.(Physics and Mathematics), Professor, Head of the General and Theoretical Physics
