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

Docking Result

CHEMBL4590999_dpp4

Atoms: 333
Models: 9
Best Energy: -8.001 kcal/mol

Binding Energies:
  • Pose 1: -8.001 kcal/mol
  • Pose 2: -7.934 kcal/mol
  • Pose 3: -7.849 kcal/mol
  • Pose 4: -7.831 kcal/mol
  • Pose 5: -7.805 kcal/mol
  • Pose 6: -7.641 kcal/mol
  • Pose 7: -7.628 kcal/mol
  • Pose 8: -7.425 kcal/mol
  • Pose 9: -7.282 kcal/mol
CHEMBL4590999_dpp4
Energy Plot
RMSD Scatter Plot