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DPhil Theses

Fragment hotspot mapping to drive the rational elaboration of fragment screening hits
Mihaela Smilova, 2022

Computational network models for molecular, neuronal and brain data in the presence of long range dependence
James Wilsenach, 2021

Protein sequence information encodes more than the global minimum structure
Dominik Schwarz, 2021

Deep learning algorithms for predicting association between antibody sequence, structure, and antibody properties
Constantin Schneider, 2021

Protein folding and structure prediction: biological and physical perspectives
Mark Chonofsky, 2020

Using antibody next generation sequencing data to aid antibody engineering
Aleksandr Kovaltsuk, 2020

Deep learning approaches for pre-clinical drug discovery
Fergus Imrie, 2021

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