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

Docking Result

CHEMBL3616903_dpp4

Atoms: 306
Models: 9
Best Energy: -8.845 kcal/mol

Binding Energies:
  • Pose 1: -8.845 kcal/mol
  • Pose 2: -8.527 kcal/mol
  • Pose 3: -8.35 kcal/mol
  • Pose 4: -8.278 kcal/mol
  • Pose 5: -8.134 kcal/mol
  • Pose 6: -8.071 kcal/mol
  • Pose 7: -8.029 kcal/mol
  • Pose 8: -7.935 kcal/mol
  • Pose 9: -7.925 kcal/mol
CHEMBL3616903_dpp4
Energy Plot
RMSD Scatter Plot