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

Docking Result

CHEMBL459438_dpp4

Atoms: 135
Models: 9
Best Energy: -5.376 kcal/mol

Binding Energies:
  • Pose 1: -5.376 kcal/mol
  • Pose 2: -5.315 kcal/mol
  • Pose 3: -4.946 kcal/mol
  • Pose 4: -4.927 kcal/mol
  • Pose 5: -4.903 kcal/mol
  • Pose 6: -4.899 kcal/mol
  • Pose 7: -4.711 kcal/mol
  • Pose 8: -4.669 kcal/mol
  • Pose 9: -4.666 kcal/mol
CHEMBL459438_dpp4
Energy Plot
RMSD Scatter Plot