Structural elucidation of type III group B Streptococcus capsular polysaccharide using molecular dynamics simulations: the role of sialic acid

Helical structure (diameter of 29.3 Å and a pitch 89.5 Å) of the capsular polysaccharide from group B Streptococcus (serotype III), predicted by 50 ns MD simulations. The sialylated side-chains are arrayed on the exterior surface of the helix while the immunodominant epitope lines the core.