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

Docking Result

CHEMBL3236102_dpp4

Atoms: 234
Models: 9
Best Energy: -9.029 kcal/mol

Binding Energies:
  • Pose 1: -9.029 kcal/mol
  • Pose 2: -8.743 kcal/mol
  • Pose 3: -7.847 kcal/mol
  • Pose 4: -7.811 kcal/mol
  • Pose 5: -7.752 kcal/mol
  • Pose 6: -7.508 kcal/mol
  • Pose 7: -7.372 kcal/mol
  • Pose 8: -7.33 kcal/mol
  • Pose 9: -7.259 kcal/mol
CHEMBL3236102_dpp4
Energy Plot
RMSD Scatter Plot