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

Docking Result

CHEMBL23924_dpp4

Atoms: 270
Models: 9
Best Energy: -8.085 kcal/mol

Binding Energies:
  • Pose 1: -8.085 kcal/mol
  • Pose 2: -7.84 kcal/mol
  • Pose 3: -7.769 kcal/mol
  • Pose 4: -7.76 kcal/mol
  • Pose 5: -7.554 kcal/mol
  • Pose 6: -7.545 kcal/mol
  • Pose 7: -7.345 kcal/mol
  • Pose 8: -7.33 kcal/mol
  • Pose 9: -7.305 kcal/mol
CHEMBL23924_dpp4
Energy Plot
RMSD Scatter Plot