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

Docking Result

CHEMBL5624539_dpp4

Atoms: 387
Models: 9
Best Energy: -8.677 kcal/mol

Binding Energies:
  • Pose 1: -8.677 kcal/mol
  • Pose 2: -8.453 kcal/mol
  • Pose 3: -8.377 kcal/mol
  • Pose 4: -8.276 kcal/mol
  • Pose 5: -8.023 kcal/mol
  • Pose 6: -7.89 kcal/mol
  • Pose 7: -7.875 kcal/mol
  • Pose 8: -7.539 kcal/mol
  • Pose 9: -7.349 kcal/mol
CHEMBL5624539_dpp4
Energy Plot
RMSD Scatter Plot