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

Docking Result

CHEMBL5404677_dpp4

Atoms: 225
Models: 9
Best Energy: -7.672 kcal/mol

Binding Energies:
  • Pose 1: -7.672 kcal/mol
  • Pose 2: -7.647 kcal/mol
  • Pose 3: -7.481 kcal/mol
  • Pose 4: -7.419 kcal/mol
  • Pose 5: -7.346 kcal/mol
  • Pose 6: -7.318 kcal/mol
  • Pose 7: -7.179 kcal/mol
  • Pose 8: -6.798 kcal/mol
  • Pose 9: -6.73 kcal/mol
CHEMBL5404677_dpp4
Energy Plot
RMSD Scatter Plot