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

Docking Result

CHEMBL380681_dpp4

Atoms: 207
Models: 9
Best Energy: -7.24 kcal/mol

Binding Energies:
  • Pose 1: -7.24 kcal/mol
  • Pose 2: -6.964 kcal/mol
  • Pose 3: -6.789 kcal/mol
  • Pose 4: -6.656 kcal/mol
  • Pose 5: -6.565 kcal/mol
  • Pose 6: -6.443 kcal/mol
  • Pose 7: -6.409 kcal/mol
  • Pose 8: -6.347 kcal/mol
  • Pose 9: -6.201 kcal/mol
CHEMBL380681_dpp4
Energy Plot
RMSD Scatter Plot