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

Docking Result

CHEMBL375875_dpp4

Atoms: 252
Models: 9
Best Energy: -8.558 kcal/mol

Binding Energies:
  • Pose 1: -8.558 kcal/mol
  • Pose 2: -8.327 kcal/mol
  • Pose 3: -8.324 kcal/mol
  • Pose 4: -8.318 kcal/mol
  • Pose 5: -8.195 kcal/mol
  • Pose 6: -8.012 kcal/mol
  • Pose 7: -7.993 kcal/mol
  • Pose 8: -7.984 kcal/mol
  • Pose 9: -7.871 kcal/mol
CHEMBL375875_dpp4
Energy Plot
RMSD Scatter Plot