Browsing University of Galway Theses (PhD Theses) by Subject "Drug design"
Now showing items 1-2 of 2
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Enzymes in the World of Computational Chemistry - Computational Studies on Structures, Dynamics, Mechanisms, and Specificity of Five Biologically Important Enzymes
(2012-10-30)The thesis demonstrates computational chemical methodology applied to some biologically important enzymes. Five enzymes have been studied, i.e. sortase A (SrtA), 2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase ... -
Investigation of various ligand design approaches and synthesis of diverse heterocyclic bioactive compounds
(NUI Galway, 2019-09-27)Structure-based design and ligand-based design are one of the most common approaches used to develop new inhibitors against druggable protein targets in various human disorders. Mcl-1 is a protein belongs to Bcl-2 family ...