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

Docking Result

CHEMBL3233561_dpp4

Atoms: 189
Models: 9
Best Energy: -7.364 kcal/mol

Binding Energies:
  • Pose 1: -7.364 kcal/mol
  • Pose 2: -6.912 kcal/mol
  • Pose 3: -6.68 kcal/mol
  • Pose 4: -6.656 kcal/mol
  • Pose 5: -6.506 kcal/mol
  • Pose 6: -6.44 kcal/mol
  • Pose 7: -6.379 kcal/mol
  • Pose 8: -6.216 kcal/mol
  • Pose 9: -6.128 kcal/mol
CHEMBL3233561_dpp4
Energy Plot
RMSD Scatter Plot