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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 of Science
School of Chemistry and Physics
Research centre(s)
Centre for Genomics and Personalised Health

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