What we do
The research in the Bryce group is aimed at developing computational models to improve the accuracy with which molecular processes are described and understood in the condensed phase and then to integrate and employ these methods in the drug design and development process, involving collaboration with medicinal chemists, biochemists and biologists.
Fields of research
Modelling carbohydrates
Predicting carbohydrate structure, dynamics and interactions
Simulation of biomolecular dynamics and thermodynamics
Understanding intra- and intermolecular recognition
Computer-aided drug design
Multidisciplinary drug discovery and optimisation
Related sites
- AMBER parameter database
The group also maintains an archive of AMBER force field parameters