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

Docking Result

CHEMBL3580783_dpp4

Atoms: 315
Models: 9
Best Energy: -7.84 kcal/mol

Binding Energies:
  • Pose 1: -7.84 kcal/mol
  • Pose 2: -7.762 kcal/mol
  • Pose 3: -7.68 kcal/mol
  • Pose 4: -7.463 kcal/mol
  • Pose 5: -7.303 kcal/mol
  • Pose 6: -7.226 kcal/mol
  • Pose 7: -7.128 kcal/mol
  • Pose 8: -7.128 kcal/mol
  • Pose 9: -7.081 kcal/mol
CHEMBL3580783_dpp4
Energy Plot
RMSD Scatter Plot