Skip to main content
Figure 2 | BMC Bioinformatics

Figure 2

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

Figure 2

Success rates of conventional and ML SFs in identifying binding poses that are closest to native ones. 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. Scoring of conventional SFs is BA-based in all cases and for comparison convenience we show their performance in the right panels as well.

Back to article page

BMC Bioinformatics

ISSN: 1471-2105

Contact us