Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F

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dc.contributor.advisorKuttel, Michelleen_ZA
dc.contributor.authorGordon, Marc Brianen_ZA
dc.date.accessioned2015-06-26T11:29:35Z
dc.date.available2015-06-26T11:29:35Z
dc.date.issued2014en_ZA
dc.descriptionIncludes bibliographical references.en_ZA
dc.description.abstractModern 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.en_ZA
dc.identifier.apacitationGordon, M. B. (2014). <i>Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F</i>. (Thesis). University of Cape Town ,Faculty of Science ,Department of Computer Science. Retrieved from http://hdl.handle.net/11427/13142en_ZA
dc.identifier.chicagocitationGordon, Marc Brian. <i>"Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F."</i> Thesis., University of Cape Town ,Faculty of Science ,Department of Computer Science, 2014. http://hdl.handle.net/11427/13142en_ZA
dc.identifier.citationGordon, M. 2014. Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F. University of Cape Town.en_ZA
dc.identifier.ris TY - Thesis / Dissertation AU - Gordon, Marc Brian AB - 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. DA - 2014 DB - OpenUCT DP - University of Cape Town LK - https://open.uct.ac.za PB - University of Cape Town PY - 2014 T1 - Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F TI - Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F UR - http://hdl.handle.net/11427/13142 ER - en_ZA
dc.identifier.urihttp://hdl.handle.net/11427/13142
dc.identifier.vancouvercitationGordon MB. Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F. [Thesis]. University of Cape Town ,Faculty of Science ,Department of Computer Science, 2014 [cited yyyy month dd]. Available from: http://hdl.handle.net/11427/13142en_ZA
dc.language.isoengen_ZA
dc.publisher.departmentDepartment of Computer Scienceen_ZA
dc.publisher.facultyFaculty of Scienceen_ZA
dc.publisher.institutionUniversity of Cape Town
dc.subject.otherInformation Technologyen_ZA
dc.titleForce field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and Fen_ZA
dc.typeMaster Thesis
dc.type.qualificationlevelMasters
dc.type.qualificationnameMScen_ZA
uct.type.filetypeText
uct.type.filetypeImage
uct.type.publicationResearchen_ZA
uct.type.resourceThesisen_ZA
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