Computational glycochemistry
Molecular modelling of bacterial carbohydrates that play important roles in infection, with a focus on their conformations and molecular interactions.
Computational science · University of Cape Town
I investigate the structure and interactions of bacterial carbohydrates involved in infection, combining molecular modelling with high-performance computing, research software and scientific visualisation.
Profiles & contact
I am based in the Department of Computer Science at the University of Cape Town in Cape Town, South Africa. Follow the links for my research record, software and academic profile.
Research themes
My work spans four connected areas, from molecular-scale questions to the computing and visual methods needed to answer them.
Molecular modelling of bacterial carbohydrates that play important roles in infection, with a focus on their conformations and molecular interactions.
Parallel architectures and computational methods that accelerate demanding scientific algorithms and simulations.
Development of practical software tools that support reproducible research in computational glycochemistry.
Visual methods that make complex scientific data easier to explore, understand and communicate.