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

Docking Result

CHEMBL592778_dpp4

Atoms: 252
Models: 9
Best Energy: -7.421 kcal/mol

Binding Energies:
  • Pose 1: -7.421 kcal/mol
  • Pose 2: -7.364 kcal/mol
  • Pose 3: -7.206 kcal/mol
  • Pose 4: -7.056 kcal/mol
  • Pose 5: -6.646 kcal/mol
  • Pose 6: -6.425 kcal/mol
  • Pose 7: -6.419 kcal/mol
  • Pose 8: -6.381 kcal/mol
  • Pose 9: -6.252 kcal/mol
CHEMBL592778_dpp4
Energy Plot
RMSD Scatter Plot