Stefan Verhoeven

PowerFit improves computational performance for rigid-body fitting of atomic structures into cryo-EM maps while maintaining accuracy and providing interactive visualization.

HADDOCK3 is a new modular platform for integrative biomolecular complex modelling, offering enhanced flexibility and integration with third-party tools to complement machine learning predictions.

Spec2Vec improves spectral similarity scoring by learning fragmental relationships, showing better correlation with structural similarity than cosine-based scores in metabolomics analyses.

The paper introduces matchms, a tool for processing and evaluating similarity in mass spectrometry data, addressing challenges in dataset consistency and metadata quality.