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

Docking Result

CHEMBL392697_dpp4

Atoms: 243
Models: 9
Best Energy: -8.811 kcal/mol

Binding Energies:
  • Pose 1: -8.811 kcal/mol
  • Pose 2: -8.638 kcal/mol
  • Pose 3: -8.586 kcal/mol
  • Pose 4: -8.334 kcal/mol
  • Pose 5: -8.259 kcal/mol
  • Pose 6: -8.038 kcal/mol
  • Pose 7: -7.98 kcal/mol
  • Pose 8: -7.771 kcal/mol
  • Pose 9: -7.644 kcal/mol
CHEMBL392697_dpp4
Energy Plot
RMSD Scatter Plot