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

Docking Result

CHEMBL511128_dpp4

Atoms: 198
Models: 9
Best Energy: -5.904 kcal/mol

Binding Energies:
  • Pose 1: -5.904 kcal/mol
  • Pose 2: -5.817 kcal/mol
  • Pose 3: -5.787 kcal/mol
  • Pose 4: -5.749 kcal/mol
  • Pose 5: -5.666 kcal/mol
  • Pose 6: -5.554 kcal/mol
  • Pose 7: -5.546 kcal/mol
  • Pose 8: -5.536 kcal/mol
  • Pose 9: -5.468 kcal/mol
CHEMBL511128_dpp4
Energy Plot
RMSD Scatter Plot