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

Docking Result

CHEMBL388433_dpp4

Atoms: 261
Models: 9
Best Energy: -7.347 kcal/mol

Binding Energies:
  • Pose 1: -7.347 kcal/mol
  • Pose 2: -7.287 kcal/mol
  • Pose 3: -7.282 kcal/mol
  • Pose 4: -7.116 kcal/mol
  • Pose 5: -7.038 kcal/mol
  • Pose 6: -6.91 kcal/mol
  • Pose 7: -6.857 kcal/mol
  • Pose 8: -6.804 kcal/mol
  • Pose 9: -6.796 kcal/mol
CHEMBL388433_dpp4
Energy Plot
RMSD Scatter Plot