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

Docking Result

CHEMBL388900_dpp4

Atoms: 279
Models: 9
Best Energy: -8.211 kcal/mol

Binding Energies:
  • Pose 1: -8.211 kcal/mol
  • Pose 2: -8.142 kcal/mol
  • Pose 3: -7.794 kcal/mol
  • Pose 4: -7.772 kcal/mol
  • Pose 5: -7.765 kcal/mol
  • Pose 6: -7.742 kcal/mol
  • Pose 7: -7.68 kcal/mol
  • Pose 8: -7.525 kcal/mol
  • Pose 9: -7.498 kcal/mol
CHEMBL388900_dpp4
Energy Plot
RMSD Scatter Plot