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

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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Bibliographic Details
Main Authors: Balaji Nagarajan, Nehru Viji Sankaranarayanan, Umesh R. Desai
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:Biomolecules
Subjects:
chondroitin sulfate
conformational analysis
glycosaminoglycans
hydrogen bonding
molecular dynamics
potential energy surface
Online Access:https://www.mdpi.com/2218-273X/12/1/77

Internet

https://www.mdpi.com/2218-273X/12/1/77

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