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

Docking Result

CHEMBL504021_dpp4

Atoms: 405
Models: 9
Best Energy: -8.597 kcal/mol

Binding Energies:
  • Pose 1: -8.597 kcal/mol
  • Pose 2: -8.472 kcal/mol
  • Pose 3: -8.454 kcal/mol
  • Pose 4: -8.454 kcal/mol
  • Pose 5: -8.452 kcal/mol
  • Pose 6: -8.313 kcal/mol
  • Pose 7: -8.282 kcal/mol
  • Pose 8: -8.274 kcal/mol
  • Pose 9: -8.2 kcal/mol
CHEMBL504021_dpp4
Energy Plot
RMSD Scatter Plot