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

Docking Result

CHEMBL5423126_dpp4

Atoms: 306
Models: 9
Best Energy: -8.419 kcal/mol

Binding Energies:
  • Pose 1: -8.419 kcal/mol
  • Pose 2: -8.419 kcal/mol
  • Pose 3: -7.91 kcal/mol
  • Pose 4: -7.83 kcal/mol
  • Pose 5: -7.775 kcal/mol
  • Pose 6: -7.749 kcal/mol
  • Pose 7: -7.685 kcal/mol
  • Pose 8: -7.452 kcal/mol
  • Pose 9: -7.426 kcal/mol
CHEMBL5423126_dpp4
Energy Plot
RMSD Scatter Plot