Browsing Dept. of Computer Science by Author "Gordon, Marc Brian"
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Force field comparison through computational analysis of capsular polysaccharides of Streptococcus pneumoniae serotypes 19A and F
(University of Cape TownFaculty of ScienceDepartment of Computer Science, 2014)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 ...