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

Docking Result

CHEMBL1242940_dpp4

Atoms: 261
Models: 9
Best Energy: -7.926 kcal/mol

Binding Energies:
  • Pose 1: -7.926 kcal/mol
  • Pose 2: -7.881 kcal/mol
  • Pose 3: -7.862 kcal/mol
  • Pose 4: -7.843 kcal/mol
  • Pose 5: -7.829 kcal/mol
  • Pose 6: -7.669 kcal/mol
  • Pose 7: -7.599 kcal/mol
  • Pose 8: -7.574 kcal/mol
  • Pose 9: -7.556 kcal/mol
CHEMBL1242940_dpp4
Energy Plot
RMSD Scatter Plot