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

Docking Result

CHEMBL5774844_dpp4

Atoms: 324
Models: 9
Best Energy: -8.947 kcal/mol

Binding Energies:
  • Pose 1: -8.947 kcal/mol
  • Pose 2: -8.865 kcal/mol
  • Pose 3: -8.682 kcal/mol
  • Pose 4: -8.496 kcal/mol
  • Pose 5: -8.491 kcal/mol
  • Pose 6: -8.383 kcal/mol
  • Pose 7: -8.164 kcal/mol
  • Pose 8: -8.16 kcal/mol
  • Pose 9: -8.147 kcal/mol
CHEMBL5774844_dpp4
Energy Plot
RMSD Scatter Plot