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

Docking Result

CHEMBL3644454_dpp4

Atoms: 261
Models: 9
Best Energy: -7.7 kcal/mol

Binding Energies:
  • Pose 1: -7.7 kcal/mol
  • Pose 2: -7.695 kcal/mol
  • Pose 3: -7.536 kcal/mol
  • Pose 4: -7.491 kcal/mol
  • Pose 5: -7.447 kcal/mol
  • Pose 6: -7.446 kcal/mol
  • Pose 7: -7.379 kcal/mol
  • Pose 8: -7.362 kcal/mol
  • Pose 9: -7.327 kcal/mol
CHEMBL3644454_dpp4
Energy Plot
RMSD Scatter Plot