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

Docking Result

CHEMBL5960859_dpp4

Atoms: 288
Models: 9
Best Energy: -9.035 kcal/mol

Binding Energies:
  • Pose 1: -9.035 kcal/mol
  • Pose 2: -8.898 kcal/mol
  • Pose 3: -8.794 kcal/mol
  • Pose 4: -8.606 kcal/mol
  • Pose 5: -8.551 kcal/mol
  • Pose 6: -8.469 kcal/mol
  • Pose 7: -8.319 kcal/mol
  • Pose 8: -8.244 kcal/mol
  • Pose 9: -8.057 kcal/mol
CHEMBL5960859_dpp4
Energy Plot
RMSD Scatter Plot