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

Docking Result

CHEMBL232570_dpp4

Atoms: 270
Models: 9
Best Energy: -7.498 kcal/mol

Binding Energies:
  • Pose 1: -7.498 kcal/mol
  • Pose 2: -7.491 kcal/mol
  • Pose 3: -7.391 kcal/mol
  • Pose 4: -7.19 kcal/mol
  • Pose 5: -6.972 kcal/mol
  • Pose 6: -6.811 kcal/mol
  • Pose 7: -6.792 kcal/mol
  • Pose 8: -6.762 kcal/mol
  • Pose 9: -6.737 kcal/mol
CHEMBL232570_dpp4
Energy Plot
RMSD Scatter Plot