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

Docking Result

CHEMBL3330067_dpp4

Atoms: 225
Models: 9
Best Energy: -8.022 kcal/mol

Binding Energies:
  • Pose 1: -8.022 kcal/mol
  • Pose 2: -7.861 kcal/mol
  • Pose 3: -7.749 kcal/mol
  • Pose 4: -7.614 kcal/mol
  • Pose 5: -7.584 kcal/mol
  • Pose 6: -7.362 kcal/mol
  • Pose 7: -7.307 kcal/mol
  • Pose 8: -7.245 kcal/mol
  • Pose 9: -7.244 kcal/mol
CHEMBL3330067_dpp4
Energy Plot
RMSD Scatter Plot