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Figure 3 | BMC Bioinformatics

Figure 3

From: Machine-learning scoring functions for identifying native poses of ligands docked to known and novel proteins

Figure 3

Success rates of ML SFs in identifying binding poses that are closest to native ones observed in four protein families: HIV protease (a-d), trypsin (e-h), carbonic anhydrase (i-l), and thrombin (m-p). The results show these rates by examining the top N scoring ligands that lie within an RMSD cut-off of C Å from their respective native poses. Panels on the left show success rates when binding-affinity based (BA) scoring is used and the ones on the right show the same results when ML SFs predicted RMSD values directly.

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BMC Bioinformatics

ISSN: 1471-2105

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