Research and scientific consulting
Dr Anthony Nash
Theoretical biophysics and computational chemistry
I am a scientist and senior consultant with almost two decades of experience across academia and the start-up sector. I currently serve as an interim Chief Scientific Officer at the interface between advanced quantum chemistry, artificial intelligence and quantum computing.
At Oxford University, I combined clinical epidemiology with drug discovery to identify a potential treatment for migraine. This work led to the establishment of Human Centric Drug Discovery, an Oxford University spinout.
I also tutor and contribute to drug discovery projects with Arizona State University, focusing on metalloproteases and the human extracellular matrix.
Consulting and scientific leadership
I am always interested to hear about scientific advisory opportunities, fractional consultancy and interim scientific leadership positions. I am based in the UK. To discuss a potential collaboration, please get in touch at info@acnash.co.uk.
Research interests
My interests lie in theoretical biophysics and physics-based approaches to computational chemistry, including molecular dynamics and quantum chemistry. I am particularly interested in fragment molecular orbital analysis of open- and closed-shell systems, alongside methods for describing strongly correlated electronic systems.
My biological interests centre on matrix metalloproteases, particularly MMP1 and the membrane-anchored MMP14, together with membrane-protein interactions and lipid bilayer modelling.
My interest in complexity theory has led me to fractal geometry, Lindenmayer systems and cellular automata. I enjoy exploring how these mathematical ideas connect with chemistry and the life sciences, particularly how local interactions generate organised behaviour across a larger system.
Background
I previously held postdoctoral positions at Oxford University in neuroscience drug discovery, at University College London in computational modelling of advanced glycation end products and the hallmarks of ageing, and at Imperial College London in computational modelling of cytochrome P450 enzymes in fungal pathogens.
I graduated with my PhD from the University of Warwick in 2013, working in computational chemistry and chemical biology. My earlier training and experience in artificial intelligence and natural computing continue to inform the way I approach scientific problems.
Featured manuscript
Molecular Space-Time: Emergent Prediction from Local Interactions in an Evolved Graph Cellular Automaton
This study represents atoms as cells in a molecular graph and passes numerical information along chemical bonds. It uses the OpenADMET CYP Inhibition Challenge as a predictive testbed while examining the dynamics that emerge from repeated local interactions.
Selected projects
Strange Matter Engine
Molecular graph cellular automata, predictive modelling and molecular space-time trajectories.