Helena Käck

This study develops a room-temperature serial crystallography workflow for fragment screening of soluble epoxide hydrolase, achieving a 10.4% hit rate with high-quality structures.

This study explores serial crystallography for drug discovery by determining room-temperature structures of soluble epoxide hydrolase and comparing them to cryo-temperature structures.

The paper combines deep learning and mechanistic modeling to predict protein conformational ensembles and compares them to experimental MD structures, showing correlations and highlighting areas for improvement in folding and dynamics prediction.