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Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F
Includes bibliographical references.
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| Main Author: | |
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| Other Authors: | |
| Format: | Thesis |
| Language: | English |
| Published: |
Department of Computer Science
2015
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| _version_ | 1867613198468775936 |
|---|---|
| access_status_str | Open Access |
| author | Gordon, Marc Brian |
| author2 | Kuttel, Michelle |
| author_browse | Gordon, Marc Brian Kuttel, Michelle |
| author_facet | Kuttel, Michelle Gordon, Marc Brian |
| author_sort | Gordon, Marc Brian |
| collection | Thesis |
| description | Includes bibliographical references. |
| format | Thesis |
| id | oai:open.uct.ac.za:11427/13142 |
| institution | University of Cape Town (South Africa) |
| language | eng |
| last_indexed | 2026-06-10T12:32:20.328Z |
| license_str | Not specified — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from UCTD — University of Cape Town Open Access Repository |
| publishDate | 2015 |
| publishDateRange | 2015 |
| publishDateSort | 2015 |
| publisher | Department of Computer Science |
| publisherStr | Department of Computer Science |
| record_format | dspace |
| source_str | UCTD — University of Cape Town Open Access Repository |
| spelling | oai:open.uct.ac.za:11427/13142 Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F Gordon, Marc Brian Kuttel, Michelle Information Technology Includes bibliographical references. Modern Molecular Dynamics force fields, such as the CHARMM36 and GLYCAM06carbohydrate force fields, are parametrised to reproduce behaviours for specific molecules under specific conditions in order to be able to predict the behaviour of similar molecular systems, where there is often no experimental data. Coupled with the sheer number available, this makes choosing the appropriate force field a formidable task. For this reason it is important that modern force fields be regularly compared. Streptococcus pneumoniae is a cause of invasive pneumococcal disease (IPD) such as pneumonia and meningitis in children under five. While there are over 90 pneumococcal serotypes only a handful of these are responsible for disease. Immunisation with the conjugate vaccine PCV7, has markedly decreased invasive pneumoccocal disease. Following PCV7 immunisation, incidences of non-vaccine serotypes, especially serotype19A, have increased. 2015-06-26T11:29:35Z 2015-06-26T11:29:35Z 2014 Master Thesis Masters MSc http://hdl.handle.net/11427/13142 eng application/pdf Department of Computer Science Faculty of Science University of Cape Town |
| spellingShingle | Information Technology Gordon, Marc Brian Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F |
| thesis_degree_str | Master's |
| title | Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F |
| title_full | Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F |
| title_fullStr | Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F |
| title_full_unstemmed | Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F |
| title_short | Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F |
| title_sort | force field comparison through computational analysis of capsular polysaccharides of streptococcus pneumoniae serotypes 19a and f |
| topic | Information Technology |
| url | http://hdl.handle.net/11427/13142 |
| work_keys_str_mv | AT gordonmarcbrian forcefieldcomparisonthroughcomputationalanalysisofcapsularpolysaccharidesofstreptococcuspneumoniaeserotypes19aandf |