Advertisement

< Back to Article

rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids

Figure 1

Relative score vs. the number of docking runs for all the protein-ligand complexes in the CCDC-Astex set.

The boxplot indicates the median value (out of 1000 possible solutions) and the first and last quartile, while the whiskers span the 10% to 90% range. The whole set (black) has been sub-divided into ligands with 5 or fewer rotatable bonds (green) and the rest (red).

Figure 1

doi: https://doi.org/10.1371/journal.pcbi.1003571.g001