Ordered Gromov-Hausdorff Metric: A New Tool for Comparative Analysis of Protein Structures (opens in new tab)

Motivation: Classical protein structure comparison metrics such as RMSD and TM-score effectively assess geometric similarity but ignore the linear order of amino acid residues (Zhang and Skolnick, 2004). The Gromov Hausdorff (GH) metric compares metric spaces by shape but also does not account for order (Gromov, 1981). This can lead to incorrectly identifying proteins with swapped domains as similar. We introduce the Ordered Gromov Hausdorff (OGH) metric, defined on ordered metric spaces, to ...