Novel Electrostatic Mechanisms Controlling the Conformational Switching of L-plastin

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dc.contributor.advisorNoskov, Sergei Yu.
dc.contributor.advisorVogel, Hans J.
dc.contributor.authorFanning, John Keenan
dc.contributor.committeememberMaccallum, Justin L.
dc.contributor.committeememberPrenner, Elmar J.
dc.contributor.committeememberNg, Kenneth Kai Sing
dc.date2018-11
dc.date.accessioned2018-06-26T14:38:34Z
dc.date.available2018-06-26T14:38:34Z
dc.date.issued2018-06-12
dc.description.abstractL-plastin is an actin-bundling protein that promotes the motility of both hematopoietic and metastatic cancer cells. The high definition structure of the calcium-binding regulatory domain of human L-plastin was recently determined, allowing computational research on this portion of the protein. The Drude polarizable force field was used to provide accurate computational simulations of the calcium-binding domain in conjunction with experimental validation to shown that L-plastin can regulate calcium-binding, and thus actin-bundling, through internal electrostatic interactions. Through this work the Drude force field was also benchmarked, to show that it provides comparable results to classical force fields with the added ability to simulate polarizability. Overall, a novel mechanism which allows L-plastin to self-regulate its calcium-binding affinity was developed.en_US
dc.identifier.citationFanning, J. K. (2018). Novel Electrostatic Mechanisms Controlling the Conformational Switching of L-plastin (Master's thesis, University of Calgary, Calgary, Canada). Retrieved from https://prism.ucalgary.ca. doi:10.11575/PRISM/32009en_US
dc.identifier.doihttp://dx.doi.org/10.11575/PRISM/32009
dc.identifier.urihttp://hdl.handle.net/1880/106783
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.subjectL-plastin
dc.subjectProtein conformational dynamics
dc.subjectMD Simulation
dc.subjectCalcium-binding regulation
dc.subjectPolarizable force field
dc.subject.classificationEducation--Sciencesen_US
dc.subject.classificationBiologyen_US
dc.subject.classificationBiophysicsen_US
dc.subject.classificationBiochemistryen_US
dc.titleNovel Electrostatic Mechanisms Controlling the Conformational Switching of L-plastin
dc.typemaster thesis
thesis.degree.disciplineBiological Sciences
thesis.degree.grantorUniversity of Calgary
thesis.degree.nameMaster of Science (MSc)
ucalgary.item.requestcopytrue
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