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

Docking Result

CHEMBL5219532_dpp4

Atoms: 378
Models: 9
Best Energy: -6.995 kcal/mol

Binding Energies:
  • Pose 1: -6.995 kcal/mol
  • Pose 2: -6.983 kcal/mol
  • Pose 3: -6.804 kcal/mol
  • Pose 4: -6.78 kcal/mol
  • Pose 5: -6.757 kcal/mol
  • Pose 6: -6.63 kcal/mol
  • Pose 7: -6.615 kcal/mol
  • Pose 8: -6.604 kcal/mol
  • Pose 9: -6.574 kcal/mol
CHEMBL5219532_dpp4
Energy Plot
RMSD Scatter Plot