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

Docking Result

CHEMBL287534_dpp4

Atoms: 234
Models: 9
Best Energy: -8.494 kcal/mol

Binding Energies:
  • Pose 1: -8.494 kcal/mol
  • Pose 2: -8.324 kcal/mol
  • Pose 3: -7.608 kcal/mol
  • Pose 4: -7.546 kcal/mol
  • Pose 5: -7.153 kcal/mol
  • Pose 6: -6.957 kcal/mol
  • Pose 7: -6.72 kcal/mol
  • Pose 8: -6.567 kcal/mol
  • Pose 9: -6.52 kcal/mol
CHEMBL287534_dpp4
Energy Plot
RMSD Scatter Plot