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

Docking Result

CHEMBL316487_dpp4

Atoms: 225
Models: 9
Best Energy: -6.587 kcal/mol

Binding Energies:
  • Pose 1: -6.587 kcal/mol
  • Pose 2: -6.526 kcal/mol
  • Pose 3: -6.455 kcal/mol
  • Pose 4: -6.433 kcal/mol
  • Pose 5: -6.416 kcal/mol
  • Pose 6: -6.396 kcal/mol
  • Pose 7: -6.384 kcal/mol
  • Pose 8: -6.359 kcal/mol
  • Pose 9: -6.32 kcal/mol
CHEMBL316487_dpp4
Energy Plot
RMSD Scatter Plot