Studying specificity in protein–glycosaminoglycan recognition with umbrella sampling
Mateusz Marcisz,
Sebastian Anila,
Margrethe Gaardløs
et al.
Abstract:In the past few decades, glycosaminoglycan (GAG) research has been crucial for gaining insights into various physiological, pathological, and therapeutic aspects mediated by the direct interactions between the GAG molecules and diverse proteins. The structural and functional heterogeneities of GAGs as well as their ability to bind specific proteins are determined by the sugar composition of the GAG, the size of the GAG chains, and the degree and pattern of sulfation. A deep understanding of the interactions in… Show more
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