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

Docking Result

CHEMBL94955_dpp4

Atoms: 252
Models: 9
Best Energy: -7.393 kcal/mol

Binding Energies:
  • Pose 1: -7.393 kcal/mol
  • Pose 2: -7.286 kcal/mol
  • Pose 3: -7.128 kcal/mol
  • Pose 4: -7.095 kcal/mol
  • Pose 5: -6.995 kcal/mol
  • Pose 6: -6.993 kcal/mol
  • Pose 7: -6.914 kcal/mol
  • Pose 8: -6.912 kcal/mol
  • Pose 9: -6.833 kcal/mol
CHEMBL94955_dpp4
Energy Plot
RMSD Scatter Plot