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

Docking Result

CHEMBL3233841_dpp4

Atoms: 225
Models: 9
Best Energy: -7.804 kcal/mol

Binding Energies:
  • Pose 1: -7.804 kcal/mol
  • Pose 2: -7.698 kcal/mol
  • Pose 3: -7.661 kcal/mol
  • Pose 4: -7.655 kcal/mol
  • Pose 5: -7.586 kcal/mol
  • Pose 6: -7.551 kcal/mol
  • Pose 7: -7.447 kcal/mol
  • Pose 8: -7.374 kcal/mol
  • Pose 9: -7.37 kcal/mol
CHEMBL3233841_dpp4
Energy Plot
RMSD Scatter Plot