Table 2 Clustering results obtained from docking of withaferin A into NEMO/IKKβ complex
Receptor | No. of AutoDock clusters a, b | Cluster rankb | No. of structures in the cluster | Lowest binding energy of cluster | Energy range within cluster |
|---|---|---|---|---|---|
1 | 8 | -19.33 | -19.33 to -17.24 | ||
NEMO/IKKβ complex | 4 (20) | 2 | 8 | -19.12 | -19.12 to -16.53 |
3 | 3 | -18.6 | -18.6 to -16.99 | ||
4 | 1 | -18.33 | -18.33 |