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dc.contributor.advisorKlauda, Jeffery Ben_US
dc.contributor.authorPandit, Kunalen_US
dc.date.accessioned2015-02-05T06:30:18Z
dc.date.available2015-02-05T06:30:18Z
dc.date.issued2012en_US
dc.identifierhttps://doi.org/10.13016/M2D03H
dc.identifier.urihttp://hdl.handle.net/1903/16057
dc.description.abstractMost molecular dynamics (MD) simulations of bacterial membranes simplify the membrane by composing it of only 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE) or in some cases with1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol (POPG) as well. However, an important constituent of bacterial membranes are lipids with a cyclopropane ring in the acyl chain. We developed a complex membrane that reflects the diverse population of lipids within E. coli cytoplasmic membranes, including cyclic lipids. Differences between the deuterium order profile of cyclic and monounsaturated lipids are observed. Furthermore, inclusion of the ring decreases the surface density of the bilayer and produces a more rigid membrane as compared to POPE/POPG membranes. Additionally, the diverse acyl chain length creates a thinner bilayer which better matches the hydrophobic thickness of E. coli transmembrane proteins. We believe the complex membrane is more accurate and suggest the use of it in MD simulations rather than simple membranes.en_US
dc.language.isoenen_US
dc.titleMembrane models of E. coli containing cyclic moieties in the aliphatic lipid chainen_US
dc.typeThesisen_US
dc.contributor.publisherDigital Repository at the University of Marylanden_US
dc.contributor.publisherUniversity of Maryland (College Park, Md.)en_US
dc.contributor.departmentChemical Engineeringen_US
dc.subject.pqcontrolledBiophysicsen_US
dc.subject.pqcontrolledChemical engineeringen_US
dc.subject.pquncontrolledCHARMMen_US
dc.subject.pquncontrolledcyclic lipiden_US
dc.subject.pquncontrolledE. colien_US
dc.subject.pquncontrolledmembraneen_US
dc.subject.pquncontrolledmolecular dynamicsen_US


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