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

Docking Result

CHEMBL5290009_dpp4

Atoms: 243
Models: 9
Best Energy: -8.492 kcal/mol

Binding Energies:
  • Pose 1: -8.492 kcal/mol
  • Pose 2: -8.107 kcal/mol
  • Pose 3: -7.902 kcal/mol
  • Pose 4: -7.689 kcal/mol
  • Pose 5: -7.559 kcal/mol
  • Pose 6: -7.515 kcal/mol
  • Pose 7: -7.315 kcal/mol
  • Pose 8: -7.265 kcal/mol
  • Pose 9: -7.144 kcal/mol
CHEMBL5290009_dpp4
Energy Plot
RMSD Scatter Plot