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

Docking Result

CHEMBL187293_dpp4

Atoms: 405
Models: 9
Best Energy: -8.76 kcal/mol

Binding Energies:
  • Pose 1: -8.76 kcal/mol
  • Pose 2: -8.74 kcal/mol
  • Pose 3: -8.686 kcal/mol
  • Pose 4: -8.51 kcal/mol
  • Pose 5: -8.489 kcal/mol
  • Pose 6: -8.478 kcal/mol
  • Pose 7: -8.432 kcal/mol
  • Pose 8: -8.344 kcal/mol
  • Pose 9: -8.335 kcal/mol
CHEMBL187293_dpp4
Energy Plot
RMSD Scatter Plot