Anne Imberty

TL;DR: The conformational features of hyaluronic acid, a key polysaccharide with important biological properties, have been determined through the combined used of nuclear magnetic resonance (NMR) spectroscopy and molecular modeling techniques as mentioned in this paper.

TL;DR: The crystal structure of LecA/melibiose complex shows classical calcium‐bridged binding of αGal in the primary binding site but also revealed a secondary sugar binding site with glucose bound that would help to the design of new potent inhibitors targeting both binding sites.

TL;DR: The structure and fold of the enzyme responsible for the biosynthesis of the xenotransplantation antigen, namely pig alpha3 galactosyltransferase, has been studied by means of computational methods and the final three-dimensional model is in agreement with the present knowledge of the biochemistry and mechanism of alpha3-galactOSyltransferases.

TL;DR: The combination of experimental and theoretical approaches revealed the effect of an additional fucose residue on the conformational behavior of the xenoantigen, which strongly rigidifies the N-acetyllactosamine.

TL;DR: The methods required for conformational modeling of carbohydrates are examined, and a series of tools that have been developed to this end are presented that can be integrated into three-dimensional real-time molecular modeling software.