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

Docking Result

CHEMBL4634272_dpp4

Atoms: 315
Models: 9
Best Energy: -8.002 kcal/mol

Binding Energies:
  • Pose 1: -8.002 kcal/mol
  • Pose 2: -7.695 kcal/mol
  • Pose 3: -7.514 kcal/mol
  • Pose 4: -7.467 kcal/mol
  • Pose 5: -7.409 kcal/mol
  • Pose 6: -7.381 kcal/mol
  • Pose 7: -7.291 kcal/mol
  • Pose 8: -7.211 kcal/mol
  • Pose 9: -7.153 kcal/mol
CHEMBL4634272_dpp4
Energy Plot
RMSD Scatter Plot