In-Depth Molecular Dynamics Study of All Possible Chondroitin Sulfate Disaccharides Reveals Key Insight into Structural Heterogeneity and Dynamism

GAGs exhibit a high level of conformational and configurational diversity, which remains untapped in terms of the recognition and modulation of proteins. Although GAGs are suggested to bind to more than 800 biologically important proteins, very few therapeutics have been designed or discovered so fa...

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Hlavní autoři:	Balaji Nagarajan, Nehru Viji Sankaranarayanan, Umesh R. Desai
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	MDPI AG 2022-01-01
Edice:	Biomolecules
Témata:	chondroitin sulfate conformational analysis glycosaminoglycans hydrogen bonding molecular dynamics potential energy surface
On-line přístup:	https://www.mdpi.com/2218-273X/12/1/77
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