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

Docking Result

CHEMBL5791516_dpp4

Atoms: 198
Models: 9
Best Energy: -7.214 kcal/mol

Binding Energies:
  • Pose 1: -7.214 kcal/mol
  • Pose 2: -7.069 kcal/mol
  • Pose 3: -7.053 kcal/mol
  • Pose 4: -6.922 kcal/mol
  • Pose 5: -6.782 kcal/mol
  • Pose 6: -6.551 kcal/mol
  • Pose 7: -6.455 kcal/mol
  • Pose 8: -6.425 kcal/mol
  • Pose 9: -6.4 kcal/mol
CHEMBL5791516_dpp4
Energy Plot
RMSD Scatter Plot