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Continuum and Molecular Modeling of Synaptic Vesicle Docking and Fusion

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dc.contributor.authorSingh, Pankaj
dc.contributor.chairHui, Chung-Yuen
dc.contributor.committeeMemberJenkins, James Thomas
dc.contributor.committeeMemberClancy, Paulette
dc.contributor.committeeMemberJagota, Anand
dc.date.accessioned2018-10-23T13:36:22Z
dc.date.available2018-10-23T13:36:22Z
dc.date.issued2018-08-30
dc.description.abstractTransmission of neural information starts by the fusion of a synaptic vesicle inside a neuron with the membrane of the neuron. This fusion process mainly consists of two steps. First one is docking which is to bring the vesicle into the proximity of neuron membrane, against the repulsive forces from electrostatics and hydration. The forces necessary to overcome this repulsion are provided by a family of proteins known as SNARE. Second step is fusion pore formation, which leads to the release of the neurotransmitter, for its collection by the next neuron. We have studied the process of synaptic vesicle fusion using Continuum and CG molecular models. Continuum models of the vesicle and neuron membrane are used to understand the deformation and forces in the membrane system in response to the SNARE and repulsive forces. In another study, a CG-model of SNARE is combined with continuum model of the membranes to analyze the deformation and forces during docking. Our calculations show that about 4-7 SNARE complexes are needed to "dock" the vesicle. Using a continuum model, we estimated the docking time of a synaptic vesicle under the effect of hydrodynamics. We found out that it is the nature of the force generated by the docking machinery which governs it. We have also developed a CG model incorporating lipid bilayer membrane and SNARE complexes to better understand the dynamics of the fusion process.
dc.identifier.doihttps://doi.org/10.7298/X49K48G1
dc.identifier.otherSingh_cornellgrad_0058F_10908
dc.identifier.otherhttp://dissertations.umi.com/cornellgrad:10908
dc.identifier.otherbibid: 10489871
dc.identifier.urihttps://hdl.handle.net/1813/59773
dc.language.isoen_US
dc.subjectCoarse Grained Molecular Dynamics (CGMD)
dc.subjectContinuum mechanics
dc.subjectLipid bilayer membrane
dc.subjectSNARE proteins
dc.subjectSynaptic vesicle fusion
dc.subjectMechanical engineering
dc.subjectBiomechanics
dc.subjectHydrodynamics
dc.subjectBiophysics
dc.titleContinuum and Molecular Modeling of Synaptic Vesicle Docking and Fusion
dc.typedissertation or thesis
dcterms.licensehttps://hdl.handle.net/1813/59810
thesis.degree.disciplineMechanical Engineering
thesis.degree.grantorCornell University
thesis.degree.levelDoctor of Philosophy
thesis.degree.namePh. D., Mechanical Engineering

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