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

Docking Result

CHEMBL3896047_dpp4

Atoms: 405
Models: 9
Best Energy: -8.41 kcal/mol

Binding Energies:
  • Pose 1: -8.41 kcal/mol
  • Pose 2: -8.327 kcal/mol
  • Pose 3: -8.265 kcal/mol
  • Pose 4: -8.098 kcal/mol
  • Pose 5: -8.051 kcal/mol
  • Pose 6: -8.017 kcal/mol
  • Pose 7: -7.942 kcal/mol
  • Pose 8: -7.901 kcal/mol
  • Pose 9: -7.884 kcal/mol
CHEMBL3896047_dpp4
Energy Plot
RMSD Scatter Plot