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

Docking Result

CHEMBL4458832_dpp4

Atoms: 342
Models: 9
Best Energy: -8.055 kcal/mol

Binding Energies:
  • Pose 1: -8.055 kcal/mol
  • Pose 2: -7.927 kcal/mol
  • Pose 3: -7.738 kcal/mol
  • Pose 4: -7.638 kcal/mol
  • Pose 5: -7.595 kcal/mol
  • Pose 6: -7.591 kcal/mol
  • Pose 7: -7.515 kcal/mol
  • Pose 8: -7.448 kcal/mol
  • Pose 9: -7.398 kcal/mol
CHEMBL4458832_dpp4
Energy Plot
RMSD Scatter Plot