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

Docking Result

CHEMBL5976169_dpp4

Atoms: 243
Models: 9
Best Energy: -8.884 kcal/mol

Binding Energies:
  • Pose 1: -8.884 kcal/mol
  • Pose 2: -8.54 kcal/mol
  • Pose 3: -8.282 kcal/mol
  • Pose 4: -7.978 kcal/mol
  • Pose 5: -7.743 kcal/mol
  • Pose 6: -7.523 kcal/mol
  • Pose 7: -7.43 kcal/mol
  • Pose 8: -7.412 kcal/mol
  • Pose 9: -7.387 kcal/mol
CHEMBL5976169_dpp4
Energy Plot
RMSD Scatter Plot