Towards explainable molecular property prediction with machine learning: pKa prediction as showcase | Victor Kyllesbech (VU) Unlocking Site-Specific Catalytic Activity on Ni Nanoparticles with Graph Neural Networks | Marta Monti (UvA) An integrative AI- and physics-based pipeline for TCR-pMHC structural modeling | Danai Maria Kotzampasi (UU) | Structure identification of novel pyrrolizidine alkaloids in lamb's lettyce (NL: veldsla) using infrared ion spectroscopy | Teun van Wieringen (RU) Structural Insights into Mouse Metallothionein-2 Using Combined IR Action Spectroscopy and Native Mass Spectrometry | May Constabel (VU) High-resolution spectropscopy of novel nature-inspired photothermal materials | Hugo Maurer (UvA) |
