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

Docking Result

CHEMBL487860_dpp4

Atoms: 279
Models: 9
Best Energy: -7.902 kcal/mol

Binding Energies:
  • Pose 1: -7.902 kcal/mol
  • Pose 2: -7.897 kcal/mol
  • Pose 3: -7.811 kcal/mol
  • Pose 4: -7.686 kcal/mol
  • Pose 5: -7.517 kcal/mol
  • Pose 6: -7.428 kcal/mol
  • Pose 7: -7.352 kcal/mol
  • Pose 8: -7.329 kcal/mol
  • Pose 9: -7.294 kcal/mol
CHEMBL487860_dpp4
Energy Plot
RMSD Scatter Plot