Molecular dynamics simulations to understand glycosaminoglycan interactions in the free- and protein-bound states
Balaji Nagarajan, Samuel G. Holmes, Nehru Viji Sankaranarayanan, Umesh R. Desai
Topics & Concepts
Molecular dynamicsEnergeticsFlexibility (engineering)ChemistryHydrogen bondMoleculeMolecular recognitionGlycosaminoglycanChemical physicsComputational chemistryBiophysicsPhysicsBiologyBiochemistryThermodynamicsMathematicsOrganic chemistryStatisticsProteoglycans and glycosaminoglycans researchGlycosylation and Glycoproteins ResearchConnective tissue disorders research