Physical properties of phospholipids at low temperatures through Slipid force field

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creativework.publisherInstitute of Physicsen
dc.contributor.authorIvanova N.
dc.contributor.authorChamati H.
dc.date.accessioned2024-07-10T14:27:05Z
dc.date.accessioned2024-07-10T14:50:34Z
dc.date.available2024-07-10T14:27:05Z
dc.date.available2024-07-10T14:50:34Z
dc.date.issued2023-01-01
dc.description.abstractSlipid (Stockholm lipids) force field is suitable for the description of the physical properties of biological membranes composed of phospholipids at room temperature. So far, its accuracy to reproduce the behavior of the thermodynamic and structural quantities of membranes at low temperatures has not yet been tested in sufficient details. In the present study, we compute some characteristic quantities of SOPC (1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine) using GROMACS in conjunction with Slipid force field. The initial configuration of the SOPC system composed of 128 lipid molecules distributed equally in each monolayer and 5120 water molecules was generated with the aid of CHARMM-GUI. Atomistic molecular dynamic (MD) simulations were performed at several temperatures. By virtue of a statistical analysis of trajectories, we computed the main structural parameters of the lipid molecules and thermodynamic quantities characterizing the phase behavior of the bilayer. The results are compared to available experimental data, as well as theoretical predictions. The Slipid force field was found to describe fairly well the structural behavior of the lipids at low temperatures.
dc.identifier.doi10.1088/1742-6596/2436/1/012025
dc.identifier.issn1742-6596
dc.identifier.issn1742-6588
dc.identifier.scopusSCOPUS_ID:85148748111en
dc.identifier.urihttps://rlib.uctm.edu/handle/123456789/789
dc.language.isoen
dc.source.urihttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85148748111&origin=inward
dc.titlePhysical properties of phospholipids at low temperatures through Slipid force field
dc.typeConference Paper
oaire.citation.issue1
oaire.citation.volume2436
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