%0 Thesis %A THOMAS, TRAYDER %D 2018 %T Computational Investigations of Ligand Binding Pathways %U https://bridges.monash.edu/articles/thesis/Computational_Investigations_of_Ligand_Binding_Pathways/5764635 %R 10.4225/03/5a56dd636a398 %2 https://ndownloader.figshare.com/files/16355087 %K Computational chemistry %K Molecular dynamics %K Markov state models %K Virtual screening %K Docking %K G protein-coupled receptors %K Computational Chemistry %X The intricacies of how drugs bind to their target receptors are poorly understood and difficult to investigate experimentally. We use a variety of computational methods to examine the process of drug binding on an atomic scale, thereby increasing the information available to medicinal chemists to use in drug design. %I Monash University