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

Docking Result

CHEMBL3236116_dpp4

Atoms: 243
Models: 9
Best Energy: -8.388 kcal/mol

Binding Energies:
  • Pose 1: -8.388 kcal/mol
  • Pose 2: -8.137 kcal/mol
  • Pose 3: -8.045 kcal/mol
  • Pose 4: -8.02 kcal/mol
  • Pose 5: -7.726 kcal/mol
  • Pose 6: -7.631 kcal/mol
  • Pose 7: -7.619 kcal/mol
  • Pose 8: -7.607 kcal/mol
  • Pose 9: -7.476 kcal/mol
CHEMBL3236116_dpp4
Energy Plot
RMSD Scatter Plot