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

Docking Result

CHEMBL290598_dpp4

Atoms: 378
Models: 9
Best Energy: -7.872 kcal/mol

Binding Energies:
  • Pose 1: -7.872 kcal/mol
  • Pose 2: -7.836 kcal/mol
  • Pose 3: -7.654 kcal/mol
  • Pose 4: -7.536 kcal/mol
  • Pose 5: -7.53 kcal/mol
  • Pose 6: -7.498 kcal/mol
  • Pose 7: -7.318 kcal/mol
  • Pose 8: -7.295 kcal/mol
  • Pose 9: -7.286 kcal/mol
CHEMBL290598_dpp4
Energy Plot
RMSD Scatter Plot