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

Docking Result

CHEMBL456419_dpp4

Atoms: 216
Models: 9
Best Energy: -7.161 kcal/mol

Binding Energies:
  • Pose 1: -7.161 kcal/mol
  • Pose 2: -6.831 kcal/mol
  • Pose 3: -6.748 kcal/mol
  • Pose 4: -6.698 kcal/mol
  • Pose 5: -6.664 kcal/mol
  • Pose 6: -6.605 kcal/mol
  • Pose 7: -6.483 kcal/mol
  • Pose 8: -6.353 kcal/mol
  • Pose 9: -6.296 kcal/mol
CHEMBL456419_dpp4
Energy Plot
RMSD Scatter Plot