Current Group Members

Past Group Members

Minyoung Cho: 2024-2025 Using theoceptor modelling to computationally design an inhibitor that targets a broad-spectrum coronavirus main protease.

Eliza Brown: 2023-2025 A quantum mechanics-based approach to predict ligand binding affinities for ten clinically relevant PI3K variants in the context of cancer therapeutics.

Charlotte Hudson: 2023-2025 A quantum mechanical theoceptor approach for predicting the impact of FGFR kinase resistance mutations on inhibitor binding affinity.

Gennaro Contursi: 2022-2024 The application of quantum mechanical calculations to a set of receptor tyrosine kinases to predict the binding affinity for a range of compounds

Dr Michelle Assante: 2019-2022 Improved methods for modelling the influence of molecular environment on reactivity and physical properties.

Dr Yamir Islam: 2017-2020 The development of MMP9-sensitive nanoparticle formulations. Thesis.

Dr Joanna Zarnecka: 2014-2017 Assessing and developing methods to explore the role of molecular shape in computer-aided drug design. Thesis.

Dr: Iva Lukac: 2013-2016 The development and assessment of computational approaches to the thermodynamics and kinetics of binding. Thesis.