Simulation of A Bilayer Imitating the Inner Mitochondrial Membrane Using Coarse-Grained Molecular Dynamics

In a time interval of 10 μs, a system containing 128 molecules of dilinoleoyl phosphatidylcholine and water molecules as a solvent is modeled by the molecular dynamics method using the coarse-grained approach. The structure of the phospholipid bilayer, stable for 10 μs, is obtained.

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Bibliographic Details
Published in:Surface investigation, x-ray, synchrotron and neutron techniques x-ray, synchrotron and neutron techniques, 2021-07, Vol.15 (4), p.652-654
Main Authors: Korotkova, P. D., Yurchenko, A. A., Timofeev, V. I., Gusel’nikova, A. R., Shumm, A. B., Vladimirov, Y. A.
Format: Article
Language:English
Subjects:
Chemistry and Materials Science
Materials Science
Molecular dynamics
Phosphatidylcholine
Phospholipids
Surfaces and Interfaces
Thin Films
Water chemistry
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Description
Summary:In a time interval of 10 μs, a system containing 128 molecules of dilinoleoyl phosphatidylcholine and water molecules as a solvent is modeled by the molecular dynamics method using the coarse-grained approach. The structure of the phospholipid bilayer, stable for 10 μs, is obtained.
ISSN:1027-4510
1819-7094
DOI:10.1134/S1027451021040091