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

Docking Result

CHEMBL4072218_dpp4

Atoms: 225
Models: 9
Best Energy: -8.557 kcal/mol

Binding Energies:
  • Pose 1: -8.557 kcal/mol
  • Pose 2: -7.57 kcal/mol
  • Pose 3: -7.158 kcal/mol
  • Pose 4: -7.067 kcal/mol
  • Pose 5: -6.64 kcal/mol
  • Pose 6: -6.515 kcal/mol
  • Pose 7: -6.493 kcal/mol
  • Pose 8: -6.428 kcal/mol
  • Pose 9: -6.395 kcal/mol
CHEMBL4072218_dpp4
Energy Plot
RMSD Scatter Plot