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

Docking Result

CHEMBL91933_dpp4

Atoms: 153
Models: 9
Best Energy: -6.817 kcal/mol

Binding Energies:
  • Pose 1: -6.817 kcal/mol
  • Pose 2: -6.059 kcal/mol
  • Pose 3: -6.002 kcal/mol
  • Pose 4: -5.958 kcal/mol
  • Pose 5: -5.921 kcal/mol
  • Pose 6: -5.885 kcal/mol
  • Pose 7: -5.849 kcal/mol
  • Pose 8: -5.501 kcal/mol
  • Pose 9: -5.264 kcal/mol
CHEMBL91933_dpp4
Energy Plot
RMSD Scatter Plot