{"id":{"repo_id":"cape-town","oai_identifier":"oai:open.uct.ac.za:11427/6322"},"canonical_url":"https://search.dev.ndltd.org/etd/cape-town/oai:open.uct.ac.za:11427/6322","repository":{"repo_id":"cape-town","name":"University of Cape Town","base_url":"https://open.uct.ac.za/oai/request"},"display":{"title":"Simulations of carbohydrate conformational dynamics and thermodynamics","abstract":"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. 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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.","abstract_has_math":false,"creators":["Kuttel, Michelle Mary"],"institution":"Department of Chemistry","degree_name":null,"degree_level":null,"degree_discipline":null,"degree_department":null,"school":null,"contributors":[],"advisors":["Naidoo, Kevin J"],"committee_chairs":[],"committee_members":[],"year":2003,"date_issued":"2003","date_published":"2003","updated_at":"2026-07-22T22:23:24Z","subjects":[],"languages":["eng"],"rights":[],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/11427/6322","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.advisor","label":"Advisor","values":["Naidoo, Kevin J"]},{"key":"dc:creator","label":"Author","values":["Kuttel, Michelle Mary"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2014-08-13T14:26:48Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2014-08-13T14:26:48Z"]},{"key":"dc:date.issued","label":"Date","values":["2003"]},{"key":"dc:publisher.department","label":"Dc Publisher Department","values":["Department of Chemistry"]},{"key":"dc:publisher.institution","label":"Dc Publisher Institution","values":["University of Cape Town"]},{"key":"dc:type","label":"Dc Type","values":["Doctoral Thesis"]},{"key":"dc:type.qualificationlevel","label":"Dc Type Qualificationlevel","values":["Doctoral"]},{"key":"dc:type.qualificationname","label":"Dc Type Qualificationname","values":["PhD"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language.iso","label":"Language (ISO)","values":["eng"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier.uri","label":"Identifier URI","values":["http://hdl.handle.net/11427/6322"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["Includes bibliographical references."]},{"key":"dc:description.abstract","label":"Abstract","values":["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."]},{"key":"dc:title","label":"Title","values":["Simulations of carbohydrate conformational dynamics and thermodynamics"]}]}],"canonical_facts":{"dc:contributor.advisor":["Naidoo, Kevin J"],"dc:creator":["Kuttel, Michelle Mary"],"dc:date.accessioned":["2014-08-13T14:26:48Z"],"dc:date.available":["2014-08-13T14:26:48Z"],"dc:date.issued":["2003"],"dc:description":["Includes bibliographical references."],"dc:description.abstract":["In this thesis, free energy calculations are employed to establish the conformation freedom of selected carbohydrates. 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