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

Docking Result

CHEMBL2425065_dpp4

Atoms: 279
Models: 9
Best Energy: -8.853 kcal/mol

Binding Energies:
  • Pose 1: -8.853 kcal/mol
  • Pose 2: -8.464 kcal/mol
  • Pose 3: -8.242 kcal/mol
  • Pose 4: -7.889 kcal/mol
  • Pose 5: -7.798 kcal/mol
  • Pose 6: -7.677 kcal/mol
  • Pose 7: -7.578 kcal/mol
  • Pose 8: -7.437 kcal/mol
  • Pose 9: -7.349 kcal/mol
CHEMBL2425065_dpp4
Energy Plot
RMSD Scatter Plot