A molecular dynamics description of the conformational flexibility of the L-iduronate ring in glycosaminoglycans.
作者信息
Angulo Jesús, Nieto Pedro M, Martín-Lomas Manuel
机构信息
Grupo de Carbohidratos, Instituto de Investigaciones Químicas, CSIC, Americo Vespucio s/n E-41092 Sevilla, Spain.
出版信息
Chem Commun (Camb). 2003 Jul 7(13):1512-3. doi: 10.1039/b303386b.
DOI:10.1039/b303386b
PMID:12868729
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.
摘要
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