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

Docking Result

CHEMBL5274711_dpp4

Atoms: 288
Models: 9
Best Energy: -8.301 kcal/mol

Binding Energies:
  • Pose 1: -8.301 kcal/mol
  • Pose 2: -7.844 kcal/mol
  • Pose 3: -7.842 kcal/mol
  • Pose 4: -7.671 kcal/mol
  • Pose 5: -7.657 kcal/mol
  • Pose 6: -7.627 kcal/mol
  • Pose 7: -7.556 kcal/mol
  • Pose 8: -7.549 kcal/mol
  • Pose 9: -7.47 kcal/mol
CHEMBL5274711_dpp4
Energy Plot
RMSD Scatter Plot