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

Docking Result

CHEMBL234158_dpp4

Atoms: 180
Models: 9
Best Energy: -6.653 kcal/mol

Binding Energies:
  • Pose 1: -6.653 kcal/mol
  • Pose 2: -6.536 kcal/mol
  • Pose 3: -6.436 kcal/mol
  • Pose 4: -6.312 kcal/mol
  • Pose 5: -5.993 kcal/mol
  • Pose 6: -5.945 kcal/mol
  • Pose 7: -5.891 kcal/mol
  • Pose 8: -5.871 kcal/mol
  • Pose 9: -5.753 kcal/mol
CHEMBL234158_dpp4
Energy Plot
RMSD Scatter Plot