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dc.contributor.authorMartin, Erin
dc.date.accessioned2011-08-23T18:12:19Z
dc.date.available2011-08-23T18:12:19Z
dc.date.issued2011-08-23
dc.identifier.urihttp://hdl.handle.net/10222/14091
dc.description.abstractWater is known to take on highly organized structures to influence the reactivity of chemical and biological systems; despite this, water is often only implicitly or approximately included in theoretical studies of biochemical systems, if not omitted entirely. Many of the current models for biological processes predate an understanding of the complex behaviour of water, yet these models have not been updated. This thesis presents an exploration of how a better of water might affect the models used to describe neurotransmission. Two classes of systems are investigated, representing the two main categories of neurotransmission: that which occurs along the length of a neuron, and that which occurs between one neuron and another cell. Lipid bilayers are studied using molecular dynamics, and neurotransmitters are studied using Car-Parrinello molecular dynamics. The results indicate that water structures may play a more specific role in neurotransmission than was previously thought.en_US
dc.language.isoenen_US
dc.subjectMolecular dynamicsen_US
dc.subjectCar-Parrinello Molecular Dynamicsen_US
dc.subjectMyelin sheathen_US
dc.subjectGamma-aminobutyric aciden_US
dc.subjectAcetylcholineen_US
dc.subjectWateren_US
dc.titleThe behaviour of neurologic water during axonal and synaptic neurotransmission: An in silico study.en_US
dc.date.defence2011-07-27
dc.contributor.departmentDepartment of Chemistryen_US
dc.contributor.degreeMaster of Scienceen_US
dc.contributor.external-examinern/aen_US
dc.contributor.graduate-coordinatorDr. Mark Stradiottoen_US
dc.contributor.thesis-readerDr. Axel D. Beckeen_US
dc.contributor.thesis-readerDr. Russell J. Boyden_US
dc.contributor.thesis-readerDr. D. Jean Burnellen_US
dc.contributor.thesis-supervisorDr. Donald F. Weaveren_US
dc.contributor.ethics-approvalNot Applicableen_US
dc.contributor.manuscriptsNot Applicableen_US
dc.contributor.copyright-releaseNot Applicableen_US
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