Browsing Mathematics (Faculty of) by Subject "structural bioinformatics"
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Modelling Allostery using a Computational Analysis of Side-Chain Interactions
(University of Waterloo, 2022-09-30)Allostery refers to the regulation of protein activity arising from an effector molecule, such as a ligand, binding to a protein. The exact mechanisms that take place in allosteric regulation are still a source of debate ... -
New Algorithms for Predicting Conformational Polymorphism and Inferring Direct Couplings for Side Chains of Proteins
(University of Waterloo, 2015-08-20)Protein crystals populate diverse conformational ensembles. Despite much evidence that there is widespread conformational polymorphism in protein side chains, most of the xray crystallography data are modelled by single ...