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

Docking Result

CHEMBL230603_dpp4

Atoms: 297
Models: 9
Best Energy: -6.669 kcal/mol

Binding Energies:
  • Pose 1: -6.669 kcal/mol
  • Pose 2: -6.453 kcal/mol
  • Pose 3: -6.414 kcal/mol
  • Pose 4: -6.282 kcal/mol
  • Pose 5: -6.265 kcal/mol
  • Pose 6: -6.191 kcal/mol
  • Pose 7: -5.826 kcal/mol
  • Pose 8: -5.786 kcal/mol
  • Pose 9: -5.757 kcal/mol
CHEMBL230603_dpp4
Energy Plot
RMSD Scatter Plot