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

Docking Result

CHEMBL3329693_dpp4

Atoms: 279
Models: 9
Best Energy: -8.193 kcal/mol

Binding Energies:
  • Pose 1: -8.193 kcal/mol
  • Pose 2: -8.106 kcal/mol
  • Pose 3: -8.049 kcal/mol
  • Pose 4: -8.046 kcal/mol
  • Pose 5: -7.863 kcal/mol
  • Pose 6: -7.76 kcal/mol
  • Pose 7: -7.748 kcal/mol
  • Pose 8: -7.657 kcal/mol
  • Pose 9: -7.452 kcal/mol
CHEMBL3329693_dpp4
Energy Plot
RMSD Scatter Plot