Higher ligand buriedness in CSKDE95 (Figure ) might explain the lower RMSD values obtained as compared to CS244 (Figure ). Of note, the top-scored pose of one complex of CSKDE95 has a very high RMSD (11.88 Å). This complex features a highly solvent-exposed ligand, in a small protein devoid of significant cavity and in which crystal contacts were not included in the docking setup (Figure ). AC manages to sample a good pose (RMSD ≤ 2 Å, Figure ), but fails to attribute the best score to it. This example highlights the influence of structure properties and quality on docking success rates. .