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

Docking Result

CHEMBL208673_dpp4

Atoms: 216
Models: 9
Best Energy: -7.769 kcal/mol

Binding Energies:
  • Pose 1: -7.769 kcal/mol
  • Pose 2: -7.637 kcal/mol
  • Pose 3: -7.571 kcal/mol
  • Pose 4: -7.522 kcal/mol
  • Pose 5: -7.496 kcal/mol
  • Pose 6: -7.437 kcal/mol
  • Pose 7: -7.419 kcal/mol
  • Pose 8: -7.328 kcal/mol
  • Pose 9: -7.325 kcal/mol
CHEMBL208673_dpp4
Energy Plot
RMSD Scatter Plot