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

Docking Result

CHEMBL1682982_dpp4

Atoms: 315
Models: 9
Best Energy: -8.243 kcal/mol

Binding Energies:
  • Pose 1: -8.243 kcal/mol
  • Pose 2: -8.101 kcal/mol
  • Pose 3: -7.957 kcal/mol
  • Pose 4: -7.882 kcal/mol
  • Pose 5: -7.773 kcal/mol
  • Pose 6: -7.722 kcal/mol
  • Pose 7: -7.638 kcal/mol
  • Pose 8: -7.531 kcal/mol
  • Pose 9: -7.517 kcal/mol
CHEMBL1682982_dpp4
Energy Plot
RMSD Scatter Plot