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

Docking Result

CHEMBL182861_dpp4

Atoms: 261
Models: 9
Best Energy: -8.012 kcal/mol

Binding Energies:
  • Pose 1: -8.012 kcal/mol
  • Pose 2: -7.949 kcal/mol
  • Pose 3: -7.92 kcal/mol
  • Pose 4: -7.849 kcal/mol
  • Pose 5: -7.843 kcal/mol
  • Pose 6: -7.729 kcal/mol
  • Pose 7: -7.496 kcal/mol
  • Pose 8: -7.491 kcal/mol
  • Pose 9: -7.433 kcal/mol
CHEMBL182861_dpp4
Energy Plot
RMSD Scatter Plot