title: Molecular dynamic simulation of transmembrane pore growth.
abstract: A molecular dynamic approach was applied for simulation of dynamics of pore formation and growth in a phospholipid bilayer in the presence of an external electric field. Processing the simulation results permitted recovery of the kinetic coefficients used in the Einstein-Smoluchowski equation describing the dynamics of pore evolution. Two different models of the bilayer membrane were considered: membrane consisting of POPC and POPE lipids. The simulations permitted us to find nonempirical values of the pore energy parameters, which are compared with empirical values. It was found that the parameters are sensitive to membrane type.
authors: Kintech Laboratory, Kurchatov Square 1, 123182, Moscow, Russia, m.deminsky@hepti.kiae.ru.
authors: M
authors: M
authors: Deminsky
authors: A
authors: A
authors: Eletskii
authors: A
authors: A
authors: Kniznik
authors: A
authors: A
authors: Odinokov
authors: V
authors: V
authors: Pentkovskii
authors: B
authors: B
authors: Potapkin
mesh_terms: D000465:Algorithms; D002463:Cell Membrane Permeability; D004058:Diffusion; D018274:Electroporation; D057927:Hydrophobic and Hydrophilic Interactions; D008051:Lipid Bilayers / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D010713:Phosphatidylcholines / Q000737:chemistry; D010714:Phosphatidylethanolamines / Q000737:chemistry; D016062:Porosity; D013816:Thermodynamics
chemical_list: D008051:Lipid Bilayers; D010713:Phosphatidylcholines; D010714:Phosphatidylethanolamines
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