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

Docking Result

CHEMBL5276887_dpp4

Atoms: 342
Models: 9
Best Energy: -10.336 kcal/mol

Binding Energies:
  • Pose 1: -10.336 kcal/mol
  • Pose 2: -9.825 kcal/mol
  • Pose 3: -9.428 kcal/mol
  • Pose 4: -9.268 kcal/mol
  • Pose 5: -9.222 kcal/mol
  • Pose 6: -9.115 kcal/mol
  • Pose 7: -9 kcal/mol
  • Pose 8: -8.905 kcal/mol
  • Pose 9: -8.83 kcal/mol
CHEMBL5276887_dpp4
Energy Plot
RMSD Scatter Plot