Simon Dürr

This paper introduces dEVA, a framework for de novo metalloenzyme design, achieving high catalytic activity without natural templates.

AllMetal3D predicts metal ion localization, identity, and coordination geometry in proteins, outperforming existing tools for some metals but limited in coordination geometry classification.

This paper evaluates cofolding methods for predicting metal ion locations in proteins, finding that AlphaFold3 provides realistic predictions while RoseTTAfold-AllAtom performs worse than specialized models.