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. 2019 Jun 7;11:40. doi: 10.1186/s13321-019-0362-7

Table 2.

A contingency table for 343 RMSD calculations between docked ligand poses and their respective native crystal structure ligand poses, calculated both by DockRMSD and the Hungarian algorithm

Hungarian RMSD > 2.0 Å Hungarian RMSD ≤ 2.0 Å
DockRMSD > 2.0 Å 157 10
DockRMSD ≤ 2.0 Å 0 176