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

Docking Result

CHEMBL3580792_dpp4

Atoms: 342
Models: 9
Best Energy: -6.991 kcal/mol

Binding Energies:
  • Pose 1: -6.991 kcal/mol
  • Pose 2: -6.963 kcal/mol
  • Pose 3: -6.807 kcal/mol
  • Pose 4: -6.746 kcal/mol
  • Pose 5: -6.726 kcal/mol
  • Pose 6: -6.671 kcal/mol
  • Pose 7: -6.579 kcal/mol
  • Pose 8: -6.566 kcal/mol
  • Pose 9: -6.476 kcal/mol
CHEMBL3580792_dpp4
Energy Plot
RMSD Scatter Plot