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dc.contributor.authorYang, Jing
dc.contributor.authorMartí Rabassa, Jordi
dc.contributor.authorCalero Borrallo, Carles
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física
dc.date.accessioned2016-07-08T15:21:15Z
dc.date.available2017-04-13T00:30:58Z
dc.date.issued2016-04-12
dc.identifier.citationYang, J., Marti, J., Calero, C. Pair interactions among ternary DPPC/POPC/cholesterol mixtures in liquid-ordered and liquid-disordered phases. "Soft matter", 12 Abril 2016, vol. 12, núm. 20, p. 4557-4561.
dc.identifier.issn1744-683X
dc.identifier.urihttp://hdl.handle.net/2117/88633
dc.description.abstractSaturated phospholipids, unsaturated phospholipids, and cholesterol are essential components of cell membranes, making the understanding of their mutual interactions of great significance. We have performed microsecond molecular dynamics simulations on the ternary mixtures of DPPC/POPC/cholesterol to systematically examine lipid-lipid and cholesterol-lipid interactions in the liquid-ordered and the liquid-disordered phases. The results show that there exists a competition between the tighter packing of cholesterol-lipid and the looser packing of lipid-lipid as the membrane changes from the liquid-disordered phase to the liquid-ordered phase. Depending on the lipid saturation, the favor of lipid-lipid interactions is in the order of saturated-saturated > monounsaturated-monounsaturated > saturated-monounsaturated. Cholesterol-saturated lipid interactions are more favorable than cholesterol-monounsaturated lipid ones. The results are consistent with the push-pull forces derived from experiments and give general insights into the interactions among membrane components.
dc.format.extent5 p.
dc.language.isoeng
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Física
dc.subject.lcshMolecular dynamics--Simulation methods
dc.subject.lcshBilayer lipid membranes
dc.subject.lcshMembranes (Biology)
dc.subject.lcshCholesterol
dc.subject.otherMolecular-dynamics simulations
dc.subject.otherLipid raft formation
dc.subject.otherphospholipid-bilayers
dc.subject.otherBiological-membranes
dc.subject.otherForce-field
dc.subject.otherCholesterol
dc.subject.otherCharmm
dc.subject.otherModel
dc.subject.otherInterface
dc.subject.otherAlgorithm
dc.titlePair interactions among ternary DPPC/POPC/cholesterol mixtures in liquid-ordered and liquid-disordered phases
dc.typeArticle
dc.subject.lemacDinàmica molecular -- Simulació per ordinador
dc.subject.lemacMembranes (Biologia)
dc.subject.lemacColesterol
dc.contributor.groupUniversitat Politècnica de Catalunya. SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity
dc.identifier.doi10.1039/c6sm00345a
dc.relation.publisherversionhttp://pubs.rsc.org/en/content/articlepdf/2016/sm/c6sm00345a
dc.rights.accessOpen Access
local.identifier.drac18299973
dc.description.versionPostprint (author's final draft)
local.citation.authorYang, J.; Marti, J.; Calero, C.
local.citation.publicationNameSoft matter
local.citation.volume12
local.citation.number20
local.citation.startingPage4557
local.citation.endingPage4561


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