DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL3675626_dpp4

Atoms: 369
Models: 9
Best Energy: -9.597 kcal/mol

Binding Energies:
  • Pose 1: -9.597 kcal/mol
  • Pose 2: -9.243 kcal/mol
  • Pose 3: -9.184 kcal/mol
  • Pose 4: -9.182 kcal/mol
  • Pose 5: -9.023 kcal/mol
  • Pose 6: -8.973 kcal/mol
  • Pose 7: -8.899 kcal/mol
  • Pose 8: -8.889 kcal/mol
  • Pose 9: -8.863 kcal/mol
CHEMBL3675626_dpp4
Energy Plot
RMSD Scatter Plot