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

Docking Result

CHEMBL1683642_dpp4

Atoms: 396
Models: 9
Best Energy: -8.562 kcal/mol

Binding Energies:
  • Pose 1: -8.562 kcal/mol
  • Pose 2: -8.478 kcal/mol
  • Pose 3: -8.419 kcal/mol
  • Pose 4: -8.393 kcal/mol
  • Pose 5: -8.336 kcal/mol
  • Pose 6: -8.244 kcal/mol
  • Pose 7: -8.234 kcal/mol
  • Pose 8: -8.168 kcal/mol
  • Pose 9: -8.15 kcal/mol
CHEMBL1683642_dpp4
Energy Plot
RMSD Scatter Plot