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A highly convergent and efficient synthesis of a new sialyl Lewis x (sLe x ) mimic, which was predicted by computational studies to fulfil the spacial requirements for a selectin antagonist, has been developed. With a β 2,3 -amino acid residue l-galactose (bioisostere of the l-fucose moiety present in the natural sLe x ) and succinate are linked, leading to a mimic...
The conformational properties of the capsular polysaccharide (CPS) from group B Streptococcus serotype III (GBS III) are derived from 50ns explicitly solvated molecular dynamics simulations of a 25-residue fragment of the CPS. The results from the simulations are shown to be consistent with experimental NMR homo- and heteronuclear J-coupling and NOE data for both the sialylated native CPS and for...
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