Identification of kinase-specific functional sites

Analysed 107 protein kinase families; Calculated an integrated score for every residue in each family indicative of functional specificity; Validated the identified family-specific sites in the light of relatedness, substrate-recognition and specific protein-protein interactions.

Molecular dynamics simulations of protein kinases

Simulated different functional forms of kinase catalytic domains; Characterised the differences in mobility of speicific structural motifs and scrutinised its correlation with the functional state of the kinase; Investigated the effect of bound ligand and activation loop phosphorylation on the differential mobility between kinase functional states.