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

Docking Result

CHEMBL94312_dpp4

Atoms: 128
Models: 8
Best Energy: -6.108 kcal/mol

Binding Energies:
  • Pose 1: -6.108 kcal/mol
  • Pose 2: -5.952 kcal/mol
  • Pose 3: -5.835 kcal/mol
  • Pose 4: -5.726 kcal/mol
  • Pose 5: -5.721 kcal/mol
  • Pose 6: -5.657 kcal/mol
  • Pose 7: -5.602 kcal/mol
  • Pose 8: -5.596 kcal/mol
CHEMBL94312_dpp4
Energy Plot
RMSD Scatter Plot