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

Docking Result

CHEMBL3984849_dpp4

Atoms: 414
Models: 9
Best Energy: -9.223 kcal/mol

Binding Energies:
  • Pose 1: -9.223 kcal/mol
  • Pose 2: -8.891 kcal/mol
  • Pose 3: -8.678 kcal/mol
  • Pose 4: -8.65 kcal/mol
  • Pose 5: -8.542 kcal/mol
  • Pose 6: -8.429 kcal/mol
  • Pose 7: -8.303 kcal/mol
  • Pose 8: -8.235 kcal/mol
  • Pose 9: -8.164 kcal/mol
CHEMBL3984849_dpp4
Energy Plot
RMSD Scatter Plot