Modeling of Biological Membranes by a Coarse-grained Approach

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dc.contributor.advisorTieleman, D. Peter
dc.contributor.authorDelgado Magnero, Karelia Hortencia
dc.contributor.committeememberMacCallum, Justin
dc.contributor.committeememberNoskov, Sergei
dc.contributor.committeememberKusalik, Peter Gerard
dc.date2018-06
dc.date.accessioned2018-03-13T21:49:39Z
dc.date.available2018-03-13T21:49:39Z
dc.date.issued2018-03-07
dc.description.abstractIn this thesis, Martini coarse-grained simulations were performed to investigate the dynamic behavior of lipids and proteins in two different membrane-protein systems. In the first study, I simulated a chromatophore membrane. The model consists of the cytochrome-bc1 from Rhodobacter sphaeroides embedded in an asymmetric distribution of three lipid species. Analyses of a simulation carried out over 40 microseconds highlight specific lipid-protein interactions that are of biological relevance for ongoing research. The second study works towards the modeling of biological membranes at a larger scale. We developed a protocol to build and simulate complex models more representative of physiological membranes, in terms of crowdedness of proteins and lipid diversity. Several eukaryotic plasma membrane models were generated. Analyses of a system consisting of 150 proteins with more than 60 lipid species and simulated for 6 microseconds are discussed.en_US
dc.identifier.citationDelgado-Magnero, K. H, (2018). Modeling of Biological Membranes by a Coarse-grained Approach (Master's thesis, University of Calgary, Calgary, Canada). Retrieved from https://prism.ucalgary.ca. doi:10.11575/PRISM/20521en_US
dc.identifier.doihttp://dx.doi.org/10.11575/PRISM/20521
dc.identifier.urihttp://hdl.handle.net/1880/106430
dc.language.isoeng
dc.publisher.facultyGraduate Studies
dc.publisher.facultyScience
dc.publisher.institutionUniversity of Calgaryen
dc.publisher.placeCalgaryen
dc.rightsUniversity of Calgary graduate students retain copyright ownership and moral rights for their thesis. You may use this material in any way that is permitted by the Copyright Act or through licensing that has been assigned to the document. For uses that are not allowable under copyright legislation or licensing, you are required to seek permission.
dc.subjectbiological membranes
dc.subjectcoarse-grained simulation
dc.subjectmolecular dynamics simulation
dc.subjectlarge-scale membrane models
dc.subjectMartini model
dc.subjectlipid-protein interactions
dc.subject.classificationBiology--Molecularen_US
dc.subject.classificationBiophysicsen_US
dc.subject.classificationBiochemistryen_US
dc.subject.classificationApplied Sciencesen_US
dc.titleModeling of Biological Membranes by a Coarse-grained Approach
dc.typemaster thesis
thesis.degree.disciplineBiological Sciences
thesis.degree.grantorUniversity of Calgary
thesis.degree.nameMaster of Science (MSc)
ucalgary.item.requestcopytrue
ucalgary.thesis.checklistI confirm that I have submitted all of the required forms to Faculty of Graduate Studies.en_US
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