COMPUTATIONAL STUDIES ON ORGANELLE-SPECIFIC YEAST MEMBRANE MODELS

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dc.contributor.advisorKlauda, Jeffery Ben_US
dc.contributor.authorMonje-Galvan, Vivianaen_US
dc.contributor.departmentChemical Engineeringen_US
dc.contributor.publisherDigital Repository at the University of Marylanden_US
dc.contributor.publisherUniversity of Maryland (College Park, Md.)en_US
dc.date.accessioned2015-02-05T06:44:11Z
dc.date.available2015-02-05T06:44:11Z
dc.date.issued2014en_US
dc.description.abstractComputational models were built for the endoplasmic reticulum (ER), trans-Golgi network (TGN), and plasma membranes (PM) of yeast Saccharomyces cerevisiae. Based on experimental data, ergosterol, phosphatidic acid, phosphatidylcholine, phosphatidylethanolamine, phosphatidylserine, and phosphatidylinositol lipids were included. Lipid packing, order parameters (SCD), electron density profiles (EDPs), and lipid rotation were studied for each model. The average surface area per lipid decreased from 63.82±0.03 Å2 in the ER to 47.09±0.12 Å2 at the PM; while the compressibility modulus (KA) varied in opposite direction (PM>TGN>ER). The SCD values were higher (more ordered) for the PM lipids than the ER and TGN membranes by a factor of 1.5. The bilayer thickness estimated from EDPs was larger for the PM (43.9±0.1 Å) than the ER or TGN (37.6±0.1 Å). These properties followed expected experimental trends and were compared against a previous model built by Jo et al. (Biophys J. 2009, 97:50-58).en_US
dc.identifierhttps://doi.org/10.13016/M2M609
dc.identifier.urihttp://hdl.handle.net/1903/16125
dc.language.isoenen_US
dc.subject.pqcontrolledBiophysicsen_US
dc.subject.pqcontrolledChemical engineeringen_US
dc.subject.pquncontrolledmembrane lipidsen_US
dc.subject.pquncontrolledmolecular dynamicsen_US
dc.subject.pquncontrolledSaccharomyces cerevisiaeen_US
dc.titleCOMPUTATIONAL STUDIES ON ORGANELLE-SPECIFIC YEAST MEMBRANE MODELSen_US
dc.typeThesisen_US

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