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

Docking Result

CHEMBL330717_dpp4

Atoms: 234
Models: 9
Best Energy: -7.376 kcal/mol

Binding Energies:
  • Pose 1: -7.376 kcal/mol
  • Pose 2: -6.7 kcal/mol
  • Pose 3: -6.643 kcal/mol
  • Pose 4: -6.565 kcal/mol
  • Pose 5: -6.527 kcal/mol
  • Pose 6: -6.487 kcal/mol
  • Pose 7: -6.479 kcal/mol
  • Pose 8: -6.406 kcal/mol
  • Pose 9: -6.367 kcal/mol
CHEMBL330717_dpp4
Energy Plot
RMSD Scatter Plot