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

Docking Result

CHEMBL461290_dpp4

Atoms: 360
Models: 9
Best Energy: -8.462 kcal/mol

Binding Energies:
  • Pose 1: -8.462 kcal/mol
  • Pose 2: -8.351 kcal/mol
  • Pose 3: -8.322 kcal/mol
  • Pose 4: -8.282 kcal/mol
  • Pose 5: -8.151 kcal/mol
  • Pose 6: -8.078 kcal/mol
  • Pose 7: -7.942 kcal/mol
  • Pose 8: -7.9 kcal/mol
  • Pose 9: -7.787 kcal/mol
CHEMBL461290_dpp4
Energy Plot
RMSD Scatter Plot