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

Docking Result

CHEMBL358358_dpp4

Atoms: 162
Models: 9
Best Energy: -6.177 kcal/mol

Binding Energies:
  • Pose 1: -6.177 kcal/mol
  • Pose 2: -5.988 kcal/mol
  • Pose 3: -5.901 kcal/mol
  • Pose 4: -5.822 kcal/mol
  • Pose 5: -5.532 kcal/mol
  • Pose 6: -5.526 kcal/mol
  • Pose 7: -5.52 kcal/mol
  • Pose 8: -5.483 kcal/mol
  • Pose 9: -5.469 kcal/mol
CHEMBL358358_dpp4
Energy Plot
RMSD Scatter Plot