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

Docking Result

CHEMBL471648_dpp4

Atoms: 216
Models: 9
Best Energy: -7.806 kcal/mol

Binding Energies:
  • Pose 1: -7.806 kcal/mol
  • Pose 2: -7.65 kcal/mol
  • Pose 3: -7.402 kcal/mol
  • Pose 4: -7.373 kcal/mol
  • Pose 5: -7.309 kcal/mol
  • Pose 6: -7.203 kcal/mol
  • Pose 7: -7.187 kcal/mol
  • Pose 8: -7.17 kcal/mol
  • Pose 9: -7.078 kcal/mol
CHEMBL471648_dpp4
Energy Plot
RMSD Scatter Plot