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

Docking Result

CHEMBL4528994_dpp4

Atoms: 296
Models: 8
Best Energy: -8.398 kcal/mol

Binding Energies:
  • Pose 1: -8.398 kcal/mol
  • Pose 2: -8.242 kcal/mol
  • Pose 3: -8.164 kcal/mol
  • Pose 4: -8.042 kcal/mol
  • Pose 5: -7.952 kcal/mol
  • Pose 6: -7.766 kcal/mol
  • Pose 7: -7.714 kcal/mol
  • Pose 8: -7.668 kcal/mol
CHEMBL4528994_dpp4
Energy Plot
RMSD Scatter Plot