I pursue an interdisciplinary line of research at the interface of chemistry, physics, biology and computing to address challenges in biomolecular modelling. I use a combination of different modelling techniques and machine learning to tackle open questions in antimicrobial resistance. In particular I am interested in the role of metalloenzymes in antibiotic resistance and how we can develop new computational tools for predictive modelling of dynamics, interactions, and catalysis of these metalloenzymes.

Both, addressing methodological problems to improve machine learning techniques for e.g. learning from molecular simulation data, as well as applying these new tools to build reliable and robust computational models in a pharmaceutically relevant context from part of my core research interest.