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

Docking Result

CHEMBL365441_dpp4

Atoms: 243
Models: 9
Best Energy: -8.393 kcal/mol

Binding Energies:
  • Pose 1: -8.393 kcal/mol
  • Pose 2: -8.024 kcal/mol
  • Pose 3: -7.966 kcal/mol
  • Pose 4: -7.737 kcal/mol
  • Pose 5: -7.7 kcal/mol
  • Pose 6: -7.656 kcal/mol
  • Pose 7: -7.562 kcal/mol
  • Pose 8: -7.494 kcal/mol
  • Pose 9: -7.48 kcal/mol
CHEMBL365441_dpp4
Energy Plot
RMSD Scatter Plot