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

Docking Result

CHEMBL184672_dpp4

Atoms: 414
Models: 9
Best Energy: -8.722 kcal/mol

Binding Energies:
  • Pose 1: -8.722 kcal/mol
  • Pose 2: -8.677 kcal/mol
  • Pose 3: -8.546 kcal/mol
  • Pose 4: -8.458 kcal/mol
  • Pose 5: -8.409 kcal/mol
  • Pose 6: -8.376 kcal/mol
  • Pose 7: -8.354 kcal/mol
  • Pose 8: -8.314 kcal/mol
  • Pose 9: -8.235 kcal/mol
CHEMBL184672_dpp4
Energy Plot
RMSD Scatter Plot