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

Docking Result

CHEMBL3950517_dpp4

Atoms: 270
Models: 9
Best Energy: -9.175 kcal/mol

Binding Energies:
  • Pose 1: -9.175 kcal/mol
  • Pose 2: -8.567 kcal/mol
  • Pose 3: -8.484 kcal/mol
  • Pose 4: -8.419 kcal/mol
  • Pose 5: -8.391 kcal/mol
  • Pose 6: -8.16 kcal/mol
  • Pose 7: -7.965 kcal/mol
  • Pose 8: -7.892 kcal/mol
  • Pose 9: -7.749 kcal/mol
CHEMBL3950517_dpp4
Energy Plot
RMSD Scatter Plot