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

Docking Result

CHEMBL5811431_dpp4

Atoms: 324
Models: 9
Best Energy: -10.037 kcal/mol

Binding Energies:
  • Pose 1: -10.037 kcal/mol
  • Pose 2: -9.723 kcal/mol
  • Pose 3: -9.578 kcal/mol
  • Pose 4: -9.572 kcal/mol
  • Pose 5: -9.379 kcal/mol
  • Pose 6: -9.374 kcal/mol
  • Pose 7: -9.313 kcal/mol
  • Pose 8: -9.274 kcal/mol
  • Pose 9: -9.07 kcal/mol
CHEMBL5811431_dpp4
Energy Plot
RMSD Scatter Plot