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

Docking Result

CHEMBL2022524_dpp4

Atoms: 234
Models: 9
Best Energy: -7.647 kcal/mol

Binding Energies:
  • Pose 1: -7.647 kcal/mol
  • Pose 2: -7.244 kcal/mol
  • Pose 3: -6.907 kcal/mol
  • Pose 4: -6.758 kcal/mol
  • Pose 5: -6.602 kcal/mol
  • Pose 6: -6.587 kcal/mol
  • Pose 7: -6.543 kcal/mol
  • Pose 8: -6.483 kcal/mol
  • Pose 9: -6.472 kcal/mol
CHEMBL2022524_dpp4
Energy Plot
RMSD Scatter Plot