Accuracy & References

Table 1: Accuracy of selected docking program.A binding mode is regarded as correctly identified if the RMSD (to the native co-crystallized ligand) is less than 2.0Å. Before docking the ligands were energy minimized and randomized and all water molecules were removed from the complex. The dataset consists of the 77 complexes from the Surflex set as defined in Friesner et al.[2].
[*] Based on 76 out of the 77 complexes in the Surflex77 set.