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

Docking Result

CHEMBL3112969_dpp4

Atoms: 207
Models: 9
Best Energy: -8.065 kcal/mol

Binding Energies:
  • Pose 1: -8.065 kcal/mol
  • Pose 2: -7.889 kcal/mol
  • Pose 3: -7.85 kcal/mol
  • Pose 4: -7.58 kcal/mol
  • Pose 5: -7.237 kcal/mol
  • Pose 6: -7.137 kcal/mol
  • Pose 7: -6.899 kcal/mol
  • Pose 8: -6.874 kcal/mol
  • Pose 9: -6.771 kcal/mol
CHEMBL3112969_dpp4
Energy Plot
RMSD Scatter Plot