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dc.contributor.authorBowman, Clark
dc.contributor.authorChaplain, Mark
dc.contributor.authorMatzavinos, Anastasios
dc.date.accessioned2019-03-21T16:30:06Z
dc.date.available2019-03-21T16:30:06Z
dc.date.issued2019-03-06
dc.identifier.citationBowman , C , Chaplain , M & Matzavinos , A 2019 , ' Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane ' , Royal Society Open Science , vol. 6 , no. 3 . https://doi.org/10.1098/rsos.181657en
dc.identifier.issn2054-5703
dc.identifier.otherPURE: 257445268
dc.identifier.otherPURE UUID: fb8b1aba-5ce7-447d-a8a5-a8423c363f46
dc.identifier.otherORCID: /0000-0001-5727-2160/work/55643825
dc.identifier.otherScopus: 85064334158
dc.identifier.otherWOS: 000465470300039
dc.identifier.urihttp://hdl.handle.net/10023/17338
dc.descriptionC.B. was partially supported by the NSF through grant no. DMS-1148284. M.C. gratefully acknowledges support of EPSRC grant no. EP/N014642/1 (EPSRC Centre for Multiscale Soft Tissue Mechanics–With Application to Heart & Cancer). A.M. was partially supported by the NSF through grant nos. DMS-1521266 and DMS-1552903.en
dc.description.abstractWe investigate with computer simulations the critical radius of pores in a lipid bilayer membrane. Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett.117, 257801 (doi:10.1103/PhysRevLett.117.257801)) recently showed that nucleated pores in a homopolymer film can increase or decrease in size, depending on whether they are larger or smaller than a critical size which scales linearly with film thickness. Using dissipative particle dynamics, a particle-based simulation method, we investigate the same scenario for a lipid bilayer membrane whose structure is determined by lipid–water interactions. We simulate a perforated membrane in which holes larger than a critical radius grow, while holes smaller than the critical radius close, as in the experiment of Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett.117, 257801 (doi:10.1103/PhysRevLett.117.257801)). By altering key system parameters such as the number of particles per lipid and the periodicity, we also describe scenarios in which pores of any initial size can seal or even remain stable, showing a fundamental difference in the behaviour of lipid membranes from polymer films.
dc.format.extent9
dc.language.isoeng
dc.relation.ispartofRoyal Society Open Scienceen
dc.rightsCopyright © 2019 The Authors. Published by the Royal Society under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/4.0/, which permits unrestricted use, provided the original author and source are credited.en
dc.subjectDissipative particle dynamicsen
dc.subjectLipid membranesen
dc.subjectComputational simulationen
dc.subjectQA75 Electronic computers. Computer scienceen
dc.subjectQH301 Biologyen
dc.subjectRC0254 Neoplasms. Tumors. Oncology (including Cancer)en
dc.subjectT Technologyen
dc.subjectDASen
dc.subject.lccQA75en
dc.subject.lccQH301en
dc.subject.lccRC0254en
dc.subject.lccTen
dc.titleDissipative particle dynamics simulation of critical pore size in a lipid bilayer membraneen
dc.typeJournal articleen
dc.description.versionPublisher PDFen
dc.contributor.institutionUniversity of St Andrews.School of Mathematics and Statisticsen
dc.contributor.institutionUniversity of St Andrews.Applied Mathematicsen
dc.identifier.doihttps://doi.org/10.1098/rsos.181657
dc.description.statusPeer revieweden


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