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

Docking Result

CHEMBL3805966_dpp4

Atoms: 279
Models: 9
Best Energy: -8.533 kcal/mol

Binding Energies:
  • Pose 1: -8.533 kcal/mol
  • Pose 2: -8.489 kcal/mol
  • Pose 3: -8.228 kcal/mol
  • Pose 4: -8.03 kcal/mol
  • Pose 5: -7.995 kcal/mol
  • Pose 6: -7.975 kcal/mol
  • Pose 7: -7.842 kcal/mol
  • Pose 8: -7.839 kcal/mol
  • Pose 9: -7.583 kcal/mol
CHEMBL3805966_dpp4
Energy Plot
RMSD Scatter Plot