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

Docking Result

CHEMBL6133106_dpp4

Atoms: 441
Models: 9
Best Energy: -8.847 kcal/mol

Binding Energies:
  • Pose 1: -8.847 kcal/mol
  • Pose 2: -8.765 kcal/mol
  • Pose 3: -8.603 kcal/mol
  • Pose 4: -8.345 kcal/mol
  • Pose 5: -8.325 kcal/mol
  • Pose 6: -7.874 kcal/mol
  • Pose 7: -7.849 kcal/mol
  • Pose 8: -7.786 kcal/mol
  • Pose 9: -7.566 kcal/mol
CHEMBL6133106_dpp4
Energy Plot
RMSD Scatter Plot