Computational/Molecular Structure: (a) predicting the structure of proteins from amino-acid sequence using force fields; (b) ligand binding to proteins; (c) conformational behaviour of peptides
Computational/Biophysics: (a) atomistic molecular dynamics simulation of lipid bilayers; (b) development of enhanced-sampling molecular dynamics algorithms
Computational/Pharmacology: (a) modelling transmembrane receptors, e.g. nicotinic acetylcholine receptor, G-protein coupled receptors; (b) simulation of membrane proteins in lipid bilayers

Selected Publications

Osguthorpe DJ. Ab initio protein folding. Curr Opin Struct Biol. 2000 Apr;10(2):146-52. Review.

Osguthorpe DJ. Improved ab initio predictions with a simplified, flexible geometry model. Proteins. 1999;Suppl 3:186-93.