Models for protein conformational multiplicity
We develop unique computational tools for understanding protein dynamics and navigating the conformational landscape. We focus on efficient tools relying on limited computational power such as perturbation-response scanning; we are amongst those who pioneered elucidating allosteric communication by treating proteins as residue networks. Our current interests include deciphering atomistic mechanisms of resistance-conferring mutations in model systems and designing genetically encoded biosensors.
Keywords
Biophysics / structural biology / modelling & simulation / conformational transitions / protein dynamics / molecular evolution / allosteric communication