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

Docking Result

CHEMBL94630_dpp4

Atoms: 180
Models: 9
Best Energy: -6.448 kcal/mol

Binding Energies:
  • Pose 1: -6.448 kcal/mol
  • Pose 2: -6.416 kcal/mol
  • Pose 3: -6.313 kcal/mol
  • Pose 4: -6.25 kcal/mol
  • Pose 5: -6.198 kcal/mol
  • Pose 6: -6.106 kcal/mol
  • Pose 7: -6.082 kcal/mol
  • Pose 8: -6.03 kcal/mol
  • Pose 9: -5.917 kcal/mol
CHEMBL94630_dpp4
Energy Plot
RMSD Scatter Plot