I am a research associate at the University of Sheffield working at the interface of computational and experimental structural biology. I am interested in how experimental and computational approaches can be combined to investigate biomolecular structure, function and dynamics.
My current research involves applying mathematical rigidity theory to validate the accuracy of protein structures calculated using nuclear magnetic resonance (NMR). I developed a method, Accuracy of NMR Structures using Random Coil Index and Rigidity (ANSURR), to validate NMR protein structures. It works by comparing local flexibility (i.e. per residue) as predicted from chemical shifts to that computed from a structure using rigidity theory. Paper | Download ANSURR | ansurr.com
I jointly organise the ICMRBS Early Career Researcher (ECR) webinars, details here.