DPhil Theses

Developing novel scoring functions for protein-ligand docking using machine learning
Fergus Boyles, 2020


Understanding small molecule conformations using statistical machine learning
Lucian Chan, 2020


Structure-aware tools for the development of therapeutic antibodies from natural immunoglobulins
Matthew Raybould, 2020


In silico characterisation of antigen receptor binding site structures
Wing Ki (Catherine) Wong, 2020


Exploring protein folding mechanisms to enable the protein structure prediction of previously intractable targets
Clare West, 2019


Multiple crystallographic dataset analysis to explore crystallographic occupancy and the conformational states of proteins
Elliot Nelson, 2019


In silico tools to aid medicinal chemistry: optimising bromodomain inhibitors
Joe Bluck, 2019


Confidence in protein interaction networks
Lyuba Bozhilova, 2019


Structure-based ligand discovery: elaborating fragment hits in silico
Susan Leung, 2019


Generalised networks for protein interaction analysis
Florian Klimm, 2018


Prioritisation of active compounds that are novel scaffolds using a data-driven approach
Hannah Patel, 2018


Inferring the translation speed and determining its relationship to the protein structure produced
Alistair Martin, 2017


Using structural fragments to design antibody binding sites
Cristian Regep, 2017


Computational studies of structural motifs and cotranslational folding mechanisms in membrane and soluble proteins
Eleanor Law, 2017


Understanding antibody binding sites
Jaroslaw Nowak, 2017


Modelling protein-protein interaction networks
Luis Ospina, 2017


Hybrid methods for protein loop modelling
Claire Marks, 2016


Development of computational methodologies for antibody design
Jinwoo Leem, 2016


Application of multi-resolution partitioning of interaction networks to the study of complex disease
Malte Luecken, 2016


Multi-dataset electron density analysis methods for X-ray crystallography
Nicholas Pearce, 2016


Novel applications for hierarchical natural move Monte Carlo simulations: from proteins to nucleic acids
Samuel Demharter, 2016


Development of tools to provide prioritisation and guidance in the development of chemical probes and small molecule leads
Anthony Bradley, 2015


Molecular architecture of SAS-5 enables construction of a daughter centriole
Kacper Rogala, 2015


Radiation damage in protein crystallography: susceptibility study
Markus Gerstel, 2015


Biologically inspired de novo protein structure prediction
Saulo de Oliveira, 2015


Design, implementation and experimental validation of a network-based model to predict mitotic microtubule regulating proteins
Faisal Khan, 2014


Exploring the fold space preferences of ancient and newborn protein superfamilies
Hannah Edwards, 2014


Computational studies of protein helix kinks
Henry Wilman, 2014


Variable domain orientations in antigen receptors
James Dunbar, 2014


Data driven approaches to improve the drug discovery process: a virtual screening quest in drug discovery
Jean-Paul Ebejer, 2014


Mutational analysis of isoform selectivity and conformational equilibria in protein kinase inhibition
Leila Alexander, 2014


Fold recognition and alignment in the ‘twilight zone’
Jamie Hill, 2013


Computational antibody design
Konrad Krawczyk, 2013


Role of mutual information for predicting contact residues in proteins
Mireille Gomes, 2013


Structural modelling of transmembrane domains
Sebastian Kelm, 2012


Modelling and comparing protein interaction networks using subgraph counts
Tiago Rito, 2012


Protein loop structure prediction
Yoonjoo Choi, 2012


Conservation, error and dynamics in protein interaction networks
Waqar Ali, 2011