Name Thesis Title Collaborating Institute(s) Supervisors
Pete Curran
Exploration of the size and makeup of the minimal biologically relevant chemical space as a function of molecular complexity.
UCB, University of Cambridge
Will Pitt (UCB)
David Spring (University of Cambridge)
Jason Cole (CCDC)
Didi Bibelayi Dikima
The use of CSD and QM calculations to perform a comparative study of the interaction geometries and energies of H-bonds to traditional acceptors with those to functional groups involving the chalcogens elements S, Se and Te
University of Kinshasa
Zéphyrin G. Yav (University of Kinshasa)
Juliette Pradon (CCDC)
Aurelia Li
The evaluation of the Cambridge Structural Database subset of metal–organic frameworks
University of Cambridge
David Fairen-Jimenez (University of Cambridge)
Seth Wiggin (CCDC)
Victor Do Nascimento
Computational tools for the prediction of crystalline hydrate formation of pharmaceuticals
University of Southampton, UK
Pfizer (Sandwich) UK
Graeme M. Day (University of Southampton)
Cheryl Doherty (Pfizer)
Angeles Pulido (CCDC)
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)
Sarah Wright
Is Conformational Flexibility a Problem for Crystallisation?
University of Manchester
Aurora Cruz-Cabeza (University of Manchester)
Roger Davey (University of Manchester)
Matt Bryant (CCDC)
Albert Sigha Lundemba
The use of CSD and QM calculations to investigate sigma-hole interactions made by the chalcogens S, Se and Te
The University of Kinshasa
Prof. Zéphyrin Yav (University of Kinshasa)
Juliette Pradon (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)
