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

Docking Result

CHEMBL443622_dpp4

Atoms: 108
Models: 9
Best Energy: -4.752 kcal/mol

Binding Energies:
  • Pose 1: -4.752 kcal/mol
  • Pose 2: -4.702 kcal/mol
  • Pose 3: -4.671 kcal/mol
  • Pose 4: -4.662 kcal/mol
  • Pose 5: -4.578 kcal/mol
  • Pose 6: -4.553 kcal/mol
  • Pose 7: -4.464 kcal/mol
  • Pose 8: -4.432 kcal/mol
  • Pose 9: -4.421 kcal/mol
CHEMBL443622_dpp4
Energy Plot
RMSD Scatter Plot