Graham Smith

Graham obtained his first degree and PhD in physics. He then did post-doctoral work at Oxford on modelling permeation in ion channels using molecular dynamics (MD) simulation, and at Cancer Research UK in London on the computational prediction of the structure of protein-protein complexes using MD and rigid-body docking. He moved to Newcastle in 2005 to work at the Bii, a project of ONE NorthEast, then joined Newcastle University as a research associate in 2008, since when he has worked on a variety of problems in modelling and bioinformatics. These have included modelling signalling pathways related to ageing, particularly the insulin signalling pathway and its interaction with oxidative stress and the FOXO transcription factor. He has also applied a differential equation model of the circulatory system to the investigation of orthostatic symptoms in Chronic Fatigue Syndrome/Myalgic Encephalomyelitis, and analysed timecourse transcriptomics data in MSC differentiation as part of a CIMA project in musculoskeletal ageing. He joined the BSU in February 2014 to apply his range of skills to assist in bioinformatics, data analysis, modelling and teaching in the ICM. To contact Graham, email


Computational modelling of the regulation of Insulin signalling by oxidative stress GR Smith, DP Shanley. BMC systems biology 7 (1), 41, 2013.

Systems modelling of NHEJ reveals the importance of redox regulation of Ku70/80 in the dynamics of dna damage foci D Dolan, G Nelson, A Zupanic, G Smith, D Shanley PloS one 8 (2), e55190,  2013

Modelling the response of FOXO transcription factors to multiple post-translational modifications made by ageing-related signalling pathways GR Smith, DP Shanley PLoS One 5 (6), e11092, 2010

Molecular dynamics characterization of protein crystal contacts in aqueous solutions G Pellicane, G Smith, L Sarkisov Physical review letters 101 (24), 248102, 2008

Protein–protein docking: progress in CAPRI rounds 6–12 using a combination of methods: the introduction of steered solvated molecular dynamics A Heifetz, S Pal, GR Smith Proteins: Structure, Function, and Bioinformatics 69 (4), 816-822, 2007

The relationship between the flexibility of proteins and their conformational states on forming protein–protein complexes with an application to protein–protein docking GR Smith, MJE Sternberg, PA Bates Journal of molecular biology 347 (5), 1077-1101, 2005

Prediction of protein–protein interactions by docking methods GR Smith, MJE Sternberg Current opinion in structural biology 12 (1), 28-35, 2002

Setting up and optimization of membrane protein simulations JD Faraldo-Gómez, GR Smith, MS Sansom European Biophysics Journal 31 (3), 217-227, 2002

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