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

Docking Result

CHEMBL480713_dpp4

Atoms: 216
Models: 9
Best Energy: -6.956 kcal/mol

Binding Energies:
  • Pose 1: -6.956 kcal/mol
  • Pose 2: -6.798 kcal/mol
  • Pose 3: -6.651 kcal/mol
  • Pose 4: -6.636 kcal/mol
  • Pose 5: -6.56 kcal/mol
  • Pose 6: -6.515 kcal/mol
  • Pose 7: -6.514 kcal/mol
  • Pose 8: -6.489 kcal/mol
  • Pose 9: -6.394 kcal/mol
CHEMBL480713_dpp4
Energy Plot
RMSD Scatter Plot