Simulations of carbohydrate conformational dynamics and thermodynamics

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dc.contributor.advisorNaidoo, Kevin Jen_ZA
dc.contributor.authorKuttel, Michelle Maryen_ZA
dc.date.accessioned2014-08-13T14:26:48Z
dc.date.available2014-08-13T14:26:48Z
dc.date.issued2003en_ZA
dc.descriptionIncludes bibliographical references.en_ZA
dc.description.abstractIn this thesis, free energy calculations are employed to establish the conformation freedom of selected carbohydrates. The focus is on the biologically important (1-4)-linked glucans, although the α(1-1) α and α(1-6) linkages are also investigated. Two principal types of potential of mean force (PMF) caltulation are used: free energy calculations for ratations about dihedral angles and end-to-end distance free energy calculations for the extension and compression of oligosaccharide strands.en_ZA
dc.identifier.apacitationKuttel, M. M. (2003). <i>Simulations of carbohydrate conformational dynamics and thermodynamics</i>. (Thesis). University of Cape Town ,Faculty of Science ,Department of Chemistry. Retrieved from http://hdl.handle.net/11427/6322en_ZA
dc.identifier.chicagocitationKuttel, Michelle Mary. <i>"Simulations of carbohydrate conformational dynamics and thermodynamics."</i> Thesis., University of Cape Town ,Faculty of Science ,Department of Chemistry, 2003. http://hdl.handle.net/11427/6322en_ZA
dc.identifier.citationKuttel, M. 2003. Simulations of carbohydrate conformational dynamics and thermodynamics. University of Cape Town.en_ZA
dc.identifier.ris TY - Thesis / Dissertation AU - Kuttel, Michelle Mary AB - In this thesis, free energy calculations are employed to establish the conformation freedom of selected carbohydrates. The focus is on the biologically important (1-4)-linked glucans, although the α(1-1) α and α(1-6) linkages are also investigated. Two principal types of potential of mean force (PMF) caltulation are used: free energy calculations for ratations about dihedral angles and end-to-end distance free energy calculations for the extension and compression of oligosaccharide strands. DA - 2003 DB - OpenUCT DP - University of Cape Town LK - https://open.uct.ac.za PB - University of Cape Town PY - 2003 T1 - Simulations of carbohydrate conformational dynamics and thermodynamics TI - Simulations of carbohydrate conformational dynamics and thermodynamics UR - http://hdl.handle.net/11427/6322 ER - en_ZA
dc.identifier.urihttp://hdl.handle.net/11427/6322
dc.identifier.vancouvercitationKuttel MM. Simulations of carbohydrate conformational dynamics and thermodynamics. [Thesis]. University of Cape Town ,Faculty of Science ,Department of Chemistry, 2003 [cited yyyy month dd]. Available from: http://hdl.handle.net/11427/6322en_ZA
dc.language.isoengen_ZA
dc.publisher.departmentDepartment of Chemistryen_ZA
dc.publisher.facultyFaculty of Scienceen_ZA
dc.publisher.institutionUniversity of Cape Town
dc.subject.otherChemistryen_ZA
dc.titleSimulations of carbohydrate conformational dynamics and thermodynamicsen_ZA
dc.typeDoctoral Thesis
dc.type.qualificationlevelDoctoral
dc.type.qualificationnamePhDen_ZA
uct.type.filetypeText
uct.type.filetypeImage
uct.type.publicationResearchen_ZA
uct.type.resourceThesisen_ZA
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