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A molecular dynamics description of the conformational flexibility of the l-iduronate ring in glycosaminoglycans†
Jesús Angulo,Pedro M. Nieto,Manuel Martín-Lomas
Chemical Communications Pub Date : 05/22/2003 00:00:00 , DOI:10.1039/B303386B
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.

Graphical abstract: A molecular dynamics description of the conformational flexibility of the l-iduronate ring in glycosaminoglycans
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