BiochemistrybioRxiv
Efficient consideration of coordinated water molecules improves computational protein-protein and protein-ligand docking
R. E. Pavlovicz, H. Park, F. DiMaio
The paper introduces an improved energy model for protein-protein and protein-ligand docking that accounts for coordinated water molecules, enhancing native structure recovery.
DOI 10.1371/journal.pcbi.1008103