Evianne Rovers

The paper introduces kNN-AS, an adaptive sampling method that uses k-nearest neighbour graphs to efficiently explore conformational space, showing state-of-the-art performance on artificial and protein systems.

This paper benchmarks PROTAC docking and virtual screening tools to evaluate their ability to predict ternary complexes and distinguish active from inactive PROTACs.

The paper systematically surveys the human proteome to identify non-catalytic drug binding pockets on protein-modifying enzymes for proximity pharmacology opportunities.