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

Docking Result

CHEMBL3913191_dpp4

Atoms: 216
Models: 9
Best Energy: -8.008 kcal/mol

Binding Energies:
  • Pose 1: -8.008 kcal/mol
  • Pose 2: -7.959 kcal/mol
  • Pose 3: -7.898 kcal/mol
  • Pose 4: -7.818 kcal/mol
  • Pose 5: -7.722 kcal/mol
  • Pose 6: -7.616 kcal/mol
  • Pose 7: -7.569 kcal/mol
  • Pose 8: -7.514 kcal/mol
  • Pose 9: -7.441 kcal/mol
CHEMBL3913191_dpp4
Energy Plot
RMSD Scatter Plot