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

Docking Result

CHEMBL201424_dpp4

Atoms: 252
Models: 9
Best Energy: -7.833 kcal/mol

Binding Energies:
  • Pose 1: -7.833 kcal/mol
  • Pose 2: -7.692 kcal/mol
  • Pose 3: -7.482 kcal/mol
  • Pose 4: -7.394 kcal/mol
  • Pose 5: -7.341 kcal/mol
  • Pose 6: -7.28 kcal/mol
  • Pose 7: -7.228 kcal/mol
  • Pose 8: -7.188 kcal/mol
  • Pose 9: -7.152 kcal/mol
CHEMBL201424_dpp4
Energy Plot
RMSD Scatter Plot