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

Docking Result

CHEMBL5438110_dpp4

Atoms: 324
Models: 9
Best Energy: -9.929 kcal/mol

Binding Energies:
  • Pose 1: -9.929 kcal/mol
  • Pose 2: -9.388 kcal/mol
  • Pose 3: -9.137 kcal/mol
  • Pose 4: -8.951 kcal/mol
  • Pose 5: -8.945 kcal/mol
  • Pose 6: -8.798 kcal/mol
  • Pose 7: -8.728 kcal/mol
  • Pose 8: -8.526 kcal/mol
  • Pose 9: -8.523 kcal/mol
CHEMBL5438110_dpp4
Energy Plot
RMSD Scatter Plot