BioinformaticsJournal of Chemical Theory and ComputationPeer-reviewed
Physics-inspired accuracy estimator for model-docked ligand complexes
Byung-hyun Bae, Jin Sun Choi, Chaok Seok, Hahnbeom Park
The paper introduces DENOISer, a deep neural network that improves scoring accuracy in model docking by incorporating physical knowledge, outperforming existing tools on benchmark sets.