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

Docking Result

CHEMBL4162532_dpp4

Atoms: 297
Models: 9
Best Energy: -8.211 kcal/mol

Binding Energies:
  • Pose 1: -8.211 kcal/mol
  • Pose 2: -7.792 kcal/mol
  • Pose 3: -7.748 kcal/mol
  • Pose 4: -7.567 kcal/mol
  • Pose 5: -7.562 kcal/mol
  • Pose 6: -7.527 kcal/mol
  • Pose 7: -7.505 kcal/mol
  • Pose 8: -7.451 kcal/mol
  • Pose 9: -7.395 kcal/mol
CHEMBL4162532_dpp4
Energy Plot
RMSD Scatter Plot