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

Docking Result

CHEMBL3680632_dpp4

Atoms: 396
Models: 9
Best Energy: -8.353 kcal/mol

Binding Energies:
  • Pose 1: -8.353 kcal/mol
  • Pose 2: -8.268 kcal/mol
  • Pose 3: -8.105 kcal/mol
  • Pose 4: -8.018 kcal/mol
  • Pose 5: -7.906 kcal/mol
  • Pose 6: -7.864 kcal/mol
  • Pose 7: -7.787 kcal/mol
  • Pose 8: -7.69 kcal/mol
  • Pose 9: -7.661 kcal/mol
CHEMBL3680632_dpp4
Energy Plot
RMSD Scatter Plot