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Simulations of carbohydrate conformational dynamics and thermodynamics
Includes bibliographical references.
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| Main Author: | |
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| Other Authors: | |
| Format: | Thesis |
| Language: | English |
| Published: |
Department of Chemistry
2014
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| _version_ | 1867613328620126208 |
|---|---|
| access_status_str | Open Access |
| author | Kuttel, Michelle Mary |
| author2 | Naidoo, Kevin J |
| author_browse | Kuttel, Michelle Mary Naidoo, Kevin J |
| author_facet | Naidoo, Kevin J Kuttel, Michelle Mary |
| author_sort | Kuttel, Michelle Mary |
| collection | Thesis |
| description | Includes bibliographical references. |
| format | Thesis |
| id | oai:open.uct.ac.za:11427/6322 |
| institution | University of Cape Town (South Africa) |
| language | eng |
| last_indexed | 2026-06-10T12:34:23.309Z |
| license_str | Not specified — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from UCTD — University of Cape Town Open Access Repository |
| publishDate | 2014 |
| publishDateRange | 2014 |
| publishDateSort | 2014 |
| publisher | Department of Chemistry |
| publisherStr | Department of Chemistry |
| record_format | dspace |
| source_str | UCTD — University of Cape Town Open Access Repository |
| spelling | oai:open.uct.ac.za:11427/6322 Simulations of carbohydrate conformational dynamics and thermodynamics Kuttel, Michelle Mary Naidoo, Kevin J Chemistry Includes bibliographical references. 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. 2014-08-13T14:26:48Z 2014-08-13T14:26:48Z 2003 Doctoral Thesis Doctoral PhD http://hdl.handle.net/11427/6322 eng application/pdf Department of Chemistry Faculty of Science University of Cape Town |
| spellingShingle | Chemistry Kuttel, Michelle Mary Simulations of carbohydrate conformational dynamics and thermodynamics |
| thesis_degree_str | Doctoral |
| title | Simulations of carbohydrate conformational dynamics and thermodynamics |
| title_full | Simulations of carbohydrate conformational dynamics and thermodynamics |
| title_fullStr | Simulations of carbohydrate conformational dynamics and thermodynamics |
| title_full_unstemmed | Simulations of carbohydrate conformational dynamics and thermodynamics |
| title_short | Simulations of carbohydrate conformational dynamics and thermodynamics |
| title_sort | simulations of carbohydrate conformational dynamics and thermodynamics |
| topic | Chemistry |
| url | http://hdl.handle.net/11427/6322 |
| work_keys_str_mv | AT kuttelmichellemary simulationsofcarbohydrateconformationaldynamicsandthermodynamics |