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.
Congratulations Rohan for publishing your second paper Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction
12/01/2024Welcome Auro Varat Patnaik to the group working jointly with Davide Michieletto
16/10/2023New print from work done by Robert Arbon and Ryan Zhu: Markov State Models: to optimize or not to optimize
01/09/2023Welcome to the group Emma Tomlinson, on a joint project with David Michieletto
18/08/2023Congratulations Matthew for passing your PhD viva!
03/08/2023Congratulations Rohan for submitting your first paper From Proteins to Ligands: Decoding Deep Learning Methods for Binding Affinity Prediction
01/06/2023Welcome Wheizi Bai for his summer project with the group
21/04/2023New preprint available, congratulations Nicholas on such great work: SILVR: Guided Diccusion for Molecule Generation
19/04/2023Marco Mattia is starting his PhD in the group. Welcome Marco!