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

Docking Result

CHEMBL3112966_dpp4

Atoms: 216
Models: 9
Best Energy: -7.726 kcal/mol

Binding Energies:
  • Pose 1: -7.726 kcal/mol
  • Pose 2: -7.236 kcal/mol
  • Pose 3: -7.153 kcal/mol
  • Pose 4: -6.881 kcal/mol
  • Pose 5: -6.839 kcal/mol
  • Pose 6: -6.795 kcal/mol
  • Pose 7: -6.663 kcal/mol
  • Pose 8: -6.599 kcal/mol
  • Pose 9: -6.369 kcal/mol
CHEMBL3112966_dpp4
Energy Plot
RMSD Scatter Plot