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 for (more info) information on how to join take a look!
We are grateful for funding from Royal Society of Chemistry for the Outreach project Chemistry in Focus.
The virtual I AM A.I. exhibition by IMAGINARY is now live at I AM A.I.. Explore how an artificial intelligence, learns and thinks and take a look at how to train one using neural networks. From the 19th you will be able to see Antonia as a virtual guide taking you through the exhibtion.01/Jun/2020
Marta Chronowska joins the group for a summer project. Welcome Marta!28/May/2020
Cresset's Flare can now run alchemical free energy calculations! Antonia is glad to have been able to contribute to this collaboration. Read the paper here!25/Feb/2020
Antonia has been awarded travel money from SUPA to visit Prof. Chodera's group at MSKCC and Prof. Roitberg at the Univesity of Florida!07/Feb/2020
The preprint on the collaboration with Cresset for implementing alchemical free energy calculations in Flare is out! Take a look on (ChemRxiv)!01/Jan/2020
Welcome to Cameron and Jonathan — The research group is officially starting!03/Dec/2019
Hello World -- the group website is going live!