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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Autores principales:	Balaji Nagarajan, Nehru Viji Sankaranarayanan, Umesh R. Desai
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	MDPI AG 2022-01-01
Colección:	Biomolecules
Materias:	chondroitin sulfate conformational analysis glycosaminoglycans hydrogen bonding molecular dynamics potential energy surface
Acceso en línea:	https://www.mdpi.com/2218-273X/12/1/77
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