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

Docking Result

CHEMBL384816_dpp4

Atoms: 216
Models: 9
Best Energy: -7.68 kcal/mol

Binding Energies:
  • Pose 1: -7.68 kcal/mol
  • Pose 2: -7.415 kcal/mol
  • Pose 3: -7.413 kcal/mol
  • Pose 4: -7.154 kcal/mol
  • Pose 5: -7.047 kcal/mol
  • Pose 6: -7.018 kcal/mol
  • Pose 7: -6.98 kcal/mol
  • Pose 8: -6.756 kcal/mol
  • Pose 9: -6.748 kcal/mol
CHEMBL384816_dpp4
Energy Plot
RMSD Scatter Plot