The effect of tethers on artificial cell membranes: A coarse-grained molecular dynamics study

Hoiles, W; Gupta, R; Cornell, B; Cranfield, C; Krishnamurthy, V

The effect of tethers on artificial cell membranes: A coarse-grained molecular dynamics study

Hoiles, W Gupta, R Cornell, B

Cranfield, C

Krishnamurthy, V

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Publication Type:: Journal Article
Citation:: PLoS ONE, 2016, 11 (10)
Issue Date:: 2016-10-01

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Field	Value	Language
dc.contributor.author	Hoiles, W	en_US
dc.contributor.author	Gupta, R	en_US
dc.contributor.author	Cornell, B https://orcid.org/0000-0003-4166-3241	en_US
dc.contributor.author	Cranfield, C https://orcid.org/0000-0003-3608-5440	en_US
dc.contributor.author	Krishnamurthy, V	en_US
dc.date.available	2016-08-29	en_US
dc.date.issued	2016-10-01	en_US
dc.identifier.citation	PLoS ONE, 2016, 11 (10)	en_US
dc.identifier.uri	http://hdl.handle.net/10453/56092
dc.description.abstract	© 2016 Hoiles et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Tethered bilayer lipid membranes (tBLMs) provide a stable platform for modeling the dynamics and order of biological membranes where the tethers mimic the cytoskeletal supports present in biological cell membranes. In this paper coarse-grained molecular dynamics (CGMD) is applied to study the effects of tethers on lipid membrane properties. Using results from the CGMD model and the overdamped Fokker-Planck equation, we show that the diffusion tensor and particle density of water in the tBLM is spatially dependent. Further, it is shown that the membrane thickness, lipid diffusion, defect density, free energy of lipid flip-flop, and membrane dielectric permittivity are all dependent on the tether density. The numerically computed results from the CGMD model are in agreement with the experimentally measured results from tBLMs containing different tether densities and lipids derived from Archaebacteria. Additionally, using experimental measurements from Escherichia coli bacteria and Saccharomyces Cerevisiae yeast tethered membranes, we illustrate how previous molecular dynamics results can be combined with the proposed model to estimate the dielectric permittivity and defect density of these membranes as a function of tether density.	en_US
dc.relation.ispartof	PLoS ONE	en_US
dc.relation.isbasedon	10.1371/journal.pone.0162790	en_US
dc.subject.classification	General Science & Technology	en_US
dc.subject.mesh	Escherichia coli	en_US
dc.subject.mesh	Saccharomyces cerevisiae	en_US
dc.subject.mesh	Lipid Bilayers	en_US
dc.subject.mesh	Membranes, Artificial	en_US
dc.subject.mesh	Diffusion	en_US
dc.subject.mesh	Thermodynamics	en_US
dc.subject.mesh	Molecular Dynamics Simulation	en_US
dc.title	The effect of tethers on artificial cell membranes: A coarse-grained molecular dynamics study	en_US
dc.type	Journal Article
utslib.citation.volume	10	en_US
utslib.citation.volume	11	en_US
utslib.for	0605 Microbiology	en_US
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Life Sciences
pubs.organisational-group	/University of Technology Sydney/Strength - CHT - Health Technologies
utslib.copyright.status	open_access
pubs.issue	10	en_US
pubs.publication-status	Published	en_US
pubs.volume	11	en_US

Abstract:

© 2016 Hoiles et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Tethered bilayer lipid membranes (tBLMs) provide a stable platform for modeling the dynamics and order of biological membranes where the tethers mimic the cytoskeletal supports present in biological cell membranes. In this paper coarse-grained molecular dynamics (CGMD) is applied to study the effects of tethers on lipid membrane properties. Using results from the CGMD model and the overdamped Fokker-Planck equation, we show that the diffusion tensor and particle density of water in the tBLM is spatially dependent. Further, it is shown that the membrane thickness, lipid diffusion, defect density, free energy of lipid flip-flop, and membrane dielectric permittivity are all dependent on the tether density. The numerically computed results from the CGMD model are in agreement with the experimentally measured results from tBLMs containing different tether densities and lipids derived from Archaebacteria. Additionally, using experimental measurements from Escherichia coli bacteria and Saccharomyces Cerevisiae yeast tethered membranes, we illustrate how previous molecular dynamics results can be combined with the proposed model to estimate the dielectric permittivity and defect density of these membranes as a function of tether density.

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http://hdl.handle.net/10453/56092