We are young and dynamic research group based at the University of Edinburgh in the School of Chemistry that forms part of EaSt Chem. The research looks at combining data intensive simulation approaches with machine learning to understand protein function and inhibition better, with a particular focus on antimicrobial resistance.
We are looking for more people to join the group!
Otherwise, for more information and other opportunities on how to join take a look here!
We are grateful for funding from Royal Society of Chemistry for the Outreach project Chemistry in Focus.

Li Horovitz will join the group as an exchange student from Ben-Gurion University in September 2023 for a 12 week project. Welcome Li!
29/07/2022Antonia is joining the Statistical Mechanics and Thermodynamics RSC focus group committee
20/07/2022Antonia is joining the editorial board of Journal of Open Source Software
20/06/2022Antonia has gained a Fellowship of the Higher Education Academy
17/06/2022Congratulations to Ryan Zhu for getting his degree results of a 1st class honours BSc degree today. He will be joining the group as a PhD student in September 2022
10/06/2022Checkout this new workshop material on MDAnalysis and Machine learning that was delivered as a workshop after the 8th annual CCPBioSim conference.
25/05/2022Welcome to the group: Sarah Scripps and Yifan Wu who will both be joining us for the summer of 2022.
19/05/2022PhD student Jasmin Güven has finished her first paper on analysing protein structures from AlphaFold2 and the PDB and comparing results to geometrically constrained protein models. Her paper is now available on ArXiv
16/05/2022Congratualtions to Ryan and Matthew for finishing all their required assessments for their degree! Best of luck on your new adventures.