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

Docking Result

CHEMBL3236120_dpp4

Atoms: 288
Models: 9
Best Energy: -9.292 kcal/mol

Binding Energies:
  • Pose 1: -9.292 kcal/mol
  • Pose 2: -9.102 kcal/mol
  • Pose 3: -8.982 kcal/mol
  • Pose 4: -8.763 kcal/mol
  • Pose 5: -8.76 kcal/mol
  • Pose 6: -8.484 kcal/mol
  • Pose 7: -8.442 kcal/mol
  • Pose 8: -8.363 kcal/mol
  • Pose 9: -8.269 kcal/mol
CHEMBL3236120_dpp4
Energy Plot
RMSD Scatter Plot