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

Docking Result

CHEMBL2425077_dpp4

Atoms: 234
Models: 9
Best Energy: -7.486 kcal/mol

Binding Energies:
  • Pose 1: -7.486 kcal/mol
  • Pose 2: -7.024 kcal/mol
  • Pose 3: -7.005 kcal/mol
  • Pose 4: -6.845 kcal/mol
  • Pose 5: -6.822 kcal/mol
  • Pose 6: -6.793 kcal/mol
  • Pose 7: -6.76 kcal/mol
  • Pose 8: -6.608 kcal/mol
  • Pose 9: -6.537 kcal/mol
CHEMBL2425077_dpp4
Energy Plot
RMSD Scatter Plot