Beilstein J. Org. Chem.2023,19, 1933–1946, doi:10.3762/bjoc.19.144
be a potential mechanism of GAG particular sequence recognition by proteins.
Keywords: glycosaminoglycan; molecular docking; protein–glycosaminoglycaninteractionspecificity; RS-REMD; umbrella sampling; Introduction
Glycosaminoglycans (GAGs) are long linear periodic anionic polydisperse
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Graphical Abstract
Figure 1:
Graphical representation of ligands (in licorice, hydrogen atoms not shown) used in this study. Lig...