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

Docking Result

CHEMBL5542622_dpp4

Atoms: 522
Models: 9
Best Energy: -8.727 kcal/mol

Binding Energies:
  • Pose 1: -8.727 kcal/mol
  • Pose 2: -8.685 kcal/mol
  • Pose 3: -8.588 kcal/mol
  • Pose 4: -8.392 kcal/mol
  • Pose 5: -8.304 kcal/mol
  • Pose 6: -8.284 kcal/mol
  • Pose 7: -8.236 kcal/mol
  • Pose 8: -8.211 kcal/mol
  • Pose 9: -8.13 kcal/mol
CHEMBL5542622_dpp4
Energy Plot
RMSD Scatter Plot