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

Docking Result

CHEMBL239564_dpp4

Atoms: 225
Models: 9
Best Energy: -6.85 kcal/mol

Binding Energies:
  • Pose 1: -6.85 kcal/mol
  • Pose 2: -6.828 kcal/mol
  • Pose 3: -6.601 kcal/mol
  • Pose 4: -6.564 kcal/mol
  • Pose 5: -6.557 kcal/mol
  • Pose 6: -6.555 kcal/mol
  • Pose 7: -6.54 kcal/mol
  • Pose 8: -6.444 kcal/mol
  • Pose 9: -6.412 kcal/mol
CHEMBL239564_dpp4
Energy Plot
RMSD Scatter Plot