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

Docking Result

CHEMBL5947027_dpp4

Atoms: 261
Models: 9
Best Energy: -8.23 kcal/mol

Binding Energies:
  • Pose 1: -8.23 kcal/mol
  • Pose 2: -8.172 kcal/mol
  • Pose 3: -8.168 kcal/mol
  • Pose 4: -8.03 kcal/mol
  • Pose 5: -7.876 kcal/mol
  • Pose 6: -7.815 kcal/mol
  • Pose 7: -7.685 kcal/mol
  • Pose 8: -7.633 kcal/mol
  • Pose 9: -7.504 kcal/mol
CHEMBL5947027_dpp4
Energy Plot
RMSD Scatter Plot