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

Docking Result

CHEMBL354576_dpp4

Atoms: 288
Models: 9
Best Energy: -8.662 kcal/mol

Binding Energies:
  • Pose 1: -8.662 kcal/mol
  • Pose 2: -8.612 kcal/mol
  • Pose 3: -8.496 kcal/mol
  • Pose 4: -8.467 kcal/mol
  • Pose 5: -8.419 kcal/mol
  • Pose 6: -8.306 kcal/mol
  • Pose 7: -8.248 kcal/mol
  • Pose 8: -8.223 kcal/mol
  • Pose 9: -8.073 kcal/mol
CHEMBL354576_dpp4
Energy Plot
RMSD Scatter Plot