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

Docking Result

CHEMBL3736188_dpp4

Atoms: 288
Models: 9
Best Energy: -8.831 kcal/mol

Binding Energies:
  • Pose 1: -8.831 kcal/mol
  • Pose 2: -8.406 kcal/mol
  • Pose 3: -8.039 kcal/mol
  • Pose 4: -7.916 kcal/mol
  • Pose 5: -7.898 kcal/mol
  • Pose 6: -7.839 kcal/mol
  • Pose 7: -7.588 kcal/mol
  • Pose 8: -7.563 kcal/mol
  • Pose 9: -7.519 kcal/mol
CHEMBL3736188_dpp4
Energy Plot
RMSD Scatter Plot