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

Docking Result

CHEMBL5968543_dpp4

Atoms: 396
Models: 9
Best Energy: -9.423 kcal/mol

Binding Energies:
  • Pose 1: -9.423 kcal/mol
  • Pose 2: -9.258 kcal/mol
  • Pose 3: -9.157 kcal/mol
  • Pose 4: -9.156 kcal/mol
  • Pose 5: -8.885 kcal/mol
  • Pose 6: -8.804 kcal/mol
  • Pose 7: -8.705 kcal/mol
  • Pose 8: -8.676 kcal/mol
  • Pose 9: -8.524 kcal/mol
CHEMBL5968543_dpp4
Energy Plot
RMSD Scatter Plot