Manon F. Réau

The paper summarizes HADDOCK's performance in CAPRI rounds 47-55, highlighting the effectiveness of integrating HADDOCK with AI-driven methods like AlphaFold2 for protein complex structure prediction.

DeepRank-GNN uses graph neural networks to score protein-protein docking models, outperforming existing methods and improving speed and storage efficiency.

DeepRank uses 3D CNNs to mine protein-protein interfaces, achieving competitive or better performance in classification and docking model ranking.

The paper introduces two new HADDOCK protocols for protein-small molecule docking using shape restraints from homologous compounds, achieving an 81% success rate on unbound docking benchmarks.