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

Docking Result

CHEMBL1650424_dpp4

Atoms: 270
Models: 9
Best Energy: -7.881 kcal/mol

Binding Energies:
  • Pose 1: -7.881 kcal/mol
  • Pose 2: -7.591 kcal/mol
  • Pose 3: -7.348 kcal/mol
  • Pose 4: -7.301 kcal/mol
  • Pose 5: -7.112 kcal/mol
  • Pose 6: -7.033 kcal/mol
  • Pose 7: -7.025 kcal/mol
  • Pose 8: -6.83 kcal/mol
  • Pose 9: -6.815 kcal/mol
CHEMBL1650424_dpp4
Energy Plot
RMSD Scatter Plot