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

Docking Result

CHEMBL3616888_dpp4

Atoms: 288
Models: 9
Best Energy: -7.302 kcal/mol

Binding Energies:
  • Pose 1: -7.302 kcal/mol
  • Pose 2: -7.037 kcal/mol
  • Pose 3: -6.988 kcal/mol
  • Pose 4: -6.749 kcal/mol
  • Pose 5: -6.746 kcal/mol
  • Pose 6: -6.712 kcal/mol
  • Pose 7: -6.687 kcal/mol
  • Pose 8: -6.681 kcal/mol
  • Pose 9: -6.456 kcal/mol
CHEMBL3616888_dpp4
Energy Plot
RMSD Scatter Plot