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

Docking Result

CHEMBL165_dpp4

Atoms: 180
Models: 9
Best Energy: -6.987 kcal/mol

Binding Energies:
  • Pose 1: -6.987 kcal/mol
  • Pose 2: -6.945 kcal/mol
  • Pose 3: -6.787 kcal/mol
  • Pose 4: -6.778 kcal/mol
  • Pose 5: -6.753 kcal/mol
  • Pose 6: -6.729 kcal/mol
  • Pose 7: -6.699 kcal/mol
  • Pose 8: -6.606 kcal/mol
  • Pose 9: -6.483 kcal/mol
CHEMBL165_dpp4
Energy Plot
RMSD Scatter Plot