EFFECT OF LIPID-PROTEIN INTERACTIONS ON THE CONDUCTANCE OF THE TRANSMEMBRANE PROTEIN ALPHA HEMOLYSIN USING MOLECULAR DYNAMICS SIMULATIONS

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dc.contributor.advisorKlauda, Jefferyen_US
dc.contributor.authorTammareddy, Tejaswien_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.accessioned2020-07-08T05:30:26Z
dc.date.available2020-07-08T05:30:26Z
dc.date.issued2019en_US
dc.description.abstractAlpha-hemolysin (aHL) is a transmembrane ion-conducting channel which finds application in single molecule sensing using nanopore technology. Biomolecules are allowed to pass through the pore of the protein and, as a result, there is a change in the ion current, which is monitored to quantify single-molecule sensing. However, it has been established that the change in current is also affected by the lipid membrane in which the protein is present. It is also known that cholesterol has a concentration-dependent reduction in the current through the pore, experimentally. The understanding of current reduction at a single-molecule level and theoretical models replicating these conditions are lacking. In the current thesis, molecular dynamics simulations are performed on aHL inserted into a 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-choline (POPC) lipid bilayer with varying concentrations of cholesterol to investigate the effect on ionic current. Effect of lipid interactions, especially of cholesterol, on the protein structure and hence functioning of the ion channel is investigateden_US
dc.identifierhttps://doi.org/10.13016/pgpu-z60j
dc.identifier.urihttp://hdl.handle.net/1903/26032
dc.language.isoenen_US
dc.subject.pqcontrolledChemical engineeringen_US
dc.subject.pqcontrolledBioinformaticsen_US
dc.subject.pqcontrolledThermodynamicsen_US
dc.subject.pquncontrolledAlpha-hemolysinen_US
dc.subject.pquncontrolledlipid bilayeren_US
dc.subject.pquncontrolledmolecular dynamics simulationsen_US
dc.subject.pquncontrollednanopore technologyen_US
dc.subject.pquncontrolledsingle-molecule sensingen_US
dc.subject.pquncontrolledtransmembrane proteinen_US
dc.titleEFFECT OF LIPID-PROTEIN INTERACTIONS ON THE CONDUCTANCE OF THE TRANSMEMBRANE PROTEIN ALPHA HEMOLYSIN USING MOLECULAR DYNAMICS SIMULATIONSen_US
dc.typeThesisen_US

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