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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

From: DockRMSD: an open-source tool for atom mapping and RMSD calculation of symmetric molecules through graph isomorphism

 

Hungarian RMSD > 2.0 Å

Hungarian RMSD ≤ 2.0 Å

DockRMSD > 2.0 Å

157

10

DockRMSD ≤ 2.0 Å

0

176

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Journal of Cheminformatics

ISSN: 1758-2946

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