AREAS OF INTEREST, EXPERTISE AND RESEARCH

Area of Interest

Biomolecular modelling ● Computer aided drug design ● Computational biophysics ● Structural bioinformatics, ● Molecular dynamics simulations and free energy techniques ● High-Performance computing ● Project Management ● Mentoring ● Team building ● Blended teaching ● Flipped classrooms

Area of Expertise

Biomolecular modelling ● Computer aided drug design ● Computational biophysics ● Structural bioinformatics, ● Molecular dynamics simulations and free energy techniques ● High-Performance computing ● Project Management ● Mentoring ● Team building ● Blended teaching ● Flipped classrooms

Area of Research

My research uses advanced computer simulation methods including machine learning to understand the structure, function and interactions of biomolecules like proteins, drugs and carbohydrates. My research provides detailed insight into the mechanisms and physical behaviours of these biomolecules of importance to health and material science. During the last fourteen years, I have worked extensively on the molecular modelling of the complex carbohydrates glycosaminoglycans (GAGs), such as heparin and heparan sulphate, and their interactions with proteins. Current projects in my research group focus on characterising the structure and function of intrinsically disordered proteins, G-Protein coupled receptors, the role of post-translational modifications, drug discovery (cancer, ageing, antivirals and antibacterials) and polymers (e.g. poly-oxazolines, hydrogels, etc).