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

Docking Result

CHEMBL5963388_dpp4

Atoms: 333
Models: 9
Best Energy: -9.574 kcal/mol

Binding Energies:
  • Pose 1: -9.574 kcal/mol
  • Pose 2: -9.422 kcal/mol
  • Pose 3: -9.421 kcal/mol
  • Pose 4: -9.399 kcal/mol
  • Pose 5: -9.395 kcal/mol
  • Pose 6: -9.382 kcal/mol
  • Pose 7: -9.074 kcal/mol
  • Pose 8: -9.001 kcal/mol
  • Pose 9: -8.744 kcal/mol
CHEMBL5963388_dpp4
Energy Plot
RMSD Scatter Plot