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

Docking Result

CHEMBL4240687_dpp4

Atoms: 252
Models: 9
Best Energy: -9.021 kcal/mol

Binding Energies:
  • Pose 1: -9.021 kcal/mol
  • Pose 2: -8.564 kcal/mol
  • Pose 3: -8.497 kcal/mol
  • Pose 4: -8.479 kcal/mol
  • Pose 5: -8.39 kcal/mol
  • Pose 6: -8.35 kcal/mol
  • Pose 7: -8.315 kcal/mol
  • Pose 8: -8.149 kcal/mol
  • Pose 9: -8.089 kcal/mol
CHEMBL4240687_dpp4
Energy Plot
RMSD Scatter Plot