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

Docking Result

CHEMBL5558204_dpp4

Atoms: 504
Models: 9
Best Energy: -9.049 kcal/mol

Binding Energies:
  • Pose 1: -9.049 kcal/mol
  • Pose 2: -8.976 kcal/mol
  • Pose 3: -8.894 kcal/mol
  • Pose 4: -8.588 kcal/mol
  • Pose 5: -8.584 kcal/mol
  • Pose 6: -8.469 kcal/mol
  • Pose 7: -8.452 kcal/mol
  • Pose 8: -8.398 kcal/mol
  • Pose 9: -8.358 kcal/mol
CHEMBL5558204_dpp4
Energy Plot
RMSD Scatter Plot