title: A molecular dynamics description of the conformational flexibility of the L-iduronate ring in glycosaminoglycans.
abstract: For a synthetic hexasaccharide model it is shown that the conformational flexibility of the L-iduronate ring in glycosaminoglycans can be adequately described by using the PME methodology together with simulation protocols suitable for highly charged systems.
authors.affiliation: Grupo de Carbohidratos, Instituto de Investigaciones Químicas, CSIC, Americo Vespucio s/n E-41092 Sevilla, Spain.
authors.forename: Jesús
authors.initials: J
authors.lastname: Angulo
authors.forename: Pedro M
authors.initials: PM
authors.lastname: Nieto
authors.forename: Manuel
authors.initials: M
authors.lastname: Martín-Lomas
mesh_terms: D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D006025:Glycosaminoglycans / Q000737:chemistry*; D007067:Iduronic Acid / Q000031:analogs & derivatives / Q000737:chemistry*
chemical_list: D006025:Glycosaminoglycans; D007067:Iduronic Acid