Name |
Thesis Title |
Collaborating Institute(s) |
Supervisors |
Laura Straughair |
Predicting the propensity of solvate and hydrate formation in small molecule crystal structures |
University of Strathclyde |
Blair Johnston (University of Strathclyde)
Andy Maloney (CCDC)
|
Andre Frade |
Development and application of knowledge based molecular descriptors to the prediction of material properties |
University of Oxford
Pfizer
|
Richard Cooper (University of Oxford)
Kevin Back (Pfizer)
Patrick McCabe (CCDC)
|
Katerina Vriza |
Machine learning identification of co-crystal formation |
University of Liverpool |
Matthew Dyer (University of Liverpool)
Vitaliy Kurlin (University of Liverpool)
Pete Wood (CCDC)
|
Marc Short |
CatSD: Development of a Structural Database and Machine Learning Workflows for Catalyst Design |
University of Leeds |
Bao Nguyen (University of Leeds)
Charlotte Willans (University of Leeds)
Clare Tovee (CCDC)
|
Mihaela Smilova |
Small Molecule Fragment Hotspot Analyses to Drive Semi-Automated Design of Selective Molecules across a Protein Family |
University of Oxford
Ex Scientia
|
Brian Marsden (University of Oxford)
Anthony Bradley (Ex Scientia)
Jason Cole (CCDC)
|
Benoit Baillif |
Improving Ligand-Protein Affinity Prediction and Scoring Functions Using Proteochemometric Modelling and Deep Neural Networks |
University of Cambridge |
Andreas Bender (University of Cambridge)
Ilenia Giangreco (CCDC)
|
Sam Meredith |
Connecting Drug Discovery with Solid-State Formulation Design
|
University of Leeds
Pfizer
Syngenta
|
Colin Fishwick (University of Leeds)
Robert Hammond (University of Leeds)
Martin McPhillie (University of Leeds)
Klimentina Pencheva (Pfizer)
Neil George (Syngenta)
Andy Maloney (CCDC)
|
Julia Gasol |
From crystal to tablet – linking structure to function
|
University of Strathclyde (CMAC)
|
Iain Oswald (University id Strathclyde)
Daniel Markl (University of Strathclyde)
Andy Maloney (CCDC)
|
Dori Gasparikova |
From Fragment-screening to Fragment-growing - new strategies for drug discovery (Ref MoSMed20-10)
|
University of Durham
|
Ehmke Pohl (University of Durham)
Francesca Stanzione (CCDC)
|
Jonathan McManus |
Towards prediction of synthetically accessible organic molecular crystals
|
University of Liverpool
|
Dr Vitaliy Kurlin (University of Liverpool)
Prof Andrew I. Cooper (University of Liverpool)
Angeles Pulido PhD (CCDC)
Jason Cole (CCDC)
|
Daniel E. Widdowson |
A rigorous identification of all metastable polymorphs for better and safer drugs
|
University of Liverpool
|
Dr Vitaliy Kurlin (University of Liverpool)
Prof. Andrew I. Cooper (University of Liverpool)
Angeles Pulido PhD (CCDC)
|
Jonathan Balasingham |
"AI-based exploration of crystal spaces to accelerate drug discovery"
|
University of Liverpool
|
Dr Viktor Zamaraev (University of Liverpool)
Dr Vitaliy Kurlin (University of Liverpool)
Prof. Andrew I. Cooper (University of Liverpool)
Angeles Pulido PhD (CCDC)
|
Lawson Glasby |
New knowledge and Tools for Topological Characterisation of the CSD Subset of Metal–organic Frameworks
|
Sheffield
|
Peyman Moghadam (Sheffield)
Seth Wiggin (Sheffield)
Jason Cole (CCDC)
|
Cameron Wilson |
The role of entropy in weakly-bound crystal structures
|
University of Edinburgh
|
Simon Parsons (University of Edinburgh)
Peter Wood (CCDC)
|