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

Docking Result

CHEMBL2086600_dpp4

Atoms: 261
Models: 9
Best Energy: -8.25 kcal/mol

Binding Energies:
  • Pose 1: -8.25 kcal/mol
  • Pose 2: -8.147 kcal/mol
  • Pose 3: -7.886 kcal/mol
  • Pose 4: -7.875 kcal/mol
  • Pose 5: -7.858 kcal/mol
  • Pose 6: -7.677 kcal/mol
  • Pose 7: -7.667 kcal/mol
  • Pose 8: -7.613 kcal/mol
  • Pose 9: -7.566 kcal/mol
CHEMBL2086600_dpp4
Energy Plot
RMSD Scatter Plot