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

Docking Result

CHEMBL511659_dpp4

Atoms: 180
Models: 9
Best Energy: -6.662 kcal/mol

Binding Energies:
  • Pose 1: -6.662 kcal/mol
  • Pose 2: -6.393 kcal/mol
  • Pose 3: -6.38 kcal/mol
  • Pose 4: -6.288 kcal/mol
  • Pose 5: -6.016 kcal/mol
  • Pose 6: -5.934 kcal/mol
  • Pose 7: -5.896 kcal/mol
  • Pose 8: -5.736 kcal/mol
  • Pose 9: -5.724 kcal/mol
CHEMBL511659_dpp4
Energy Plot
RMSD Scatter Plot