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

Docking Result

CHEMBL217212_dpp4

Atoms: 270
Models: 9
Best Energy: -8.19 kcal/mol

Binding Energies:
  • Pose 1: -8.19 kcal/mol
  • Pose 2: -8.12 kcal/mol
  • Pose 3: -7.766 kcal/mol
  • Pose 4: -7.465 kcal/mol
  • Pose 5: -7.44 kcal/mol
  • Pose 6: -7.383 kcal/mol
  • Pose 7: -7.358 kcal/mol
  • Pose 8: -7.202 kcal/mol
  • Pose 9: -7.163 kcal/mol
CHEMBL217212_dpp4
Energy Plot
RMSD Scatter Plot