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Tag: ligand-docking
7 items with this tag.
Apr 21, 2026
DL ligand docking methods generate unrealistic poses
structure-prediction/limitations
ligand-docking
Apr 21, 2026
ESM-IF representations can predict if residue binds ligands
inverse-folding/evaluation
ligand-docking
Apr 21, 2026
Including confidence improves DL-based docking
ligand-docking
citation-fix
Apr 21, 2026
Protein ensemble prediction methods do not generate conformations that are amenable to PPI docking
ligand-docking
structure-prediction/sampling
Apr 21, 2026
Protein-ligand co-folding methods do not generalize beyond their training set
ligand-docking
structure-prediction/limitations
alphafold3
Apr 21, 2026
DL models excel at finding pockets but not docking into them
ligand-docking
Apr 21, 2026
High-accuracy computational models might not always be effective for ligand docking
ligand-docking