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Molecular modelling of GAG-protein interactions

Glycosaminoglycans (GAGs), also known as mucopolysaccharides, are negatively-charged polysaccharide compounds. They are a key constituent of the extracellular matrix and act as a filler substance between cells and fibres in tissues. These molecules also play a role in several viral infections, in which they enhance cell entry and release of the viruses.Interest continues to grow in understanding the precise nature of the interactions between GAGs and their binding partners and in defining specific biologically active sequences or arrangements of domains.Existing …

Study level
PhD, Master of Philosophy, Honours, Vacation research experience scheme
Faculty
Faculty of Science
School
School of Chemistry and Physics
Research centre(s)
Centre for Genomics and Personalised Health

Molecular modelling and simulations of anionic molecules

Biomolecular recognition refers to the interaction between a macromolecule (usually a protein or a nucleic acid) and a target molecule. Most often obtaining 3D experimental data is not trivial at atomistic scale. Computational methods offer the possibility of precisely describing all types of ligand–macromolecule interactions and are therefore a promising avenue to obtain that information, to test or discard a large variety of hypotheses regarding molecular recognition, folding of proteins/peptides and/or to select, among the vast chemical space of potential …

Study level
PhD, Master of Philosophy, Honours, Vacation research experience scheme
Faculty
Faculty of Science
School
School of Chemistry and Physics
Research centre(s)
Centre for Genomics and Personalised Health

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