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

Docking Result

CHEMBL1951438_dpp4

Atoms: 333
Models: 9
Best Energy: -6.96 kcal/mol

Binding Energies:
  • Pose 1: -6.96 kcal/mol
  • Pose 2: -6.467 kcal/mol
  • Pose 3: -6.287 kcal/mol
  • Pose 4: -6.281 kcal/mol
  • Pose 5: -6.198 kcal/mol
  • Pose 6: -6.098 kcal/mol
  • Pose 7: -5.903 kcal/mol
  • Pose 8: -5.874 kcal/mol
  • Pose 9: -5.774 kcal/mol
CHEMBL1951438_dpp4
Energy Plot
RMSD Scatter Plot