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

Docking Result

CHEMBL1951596_dpp4

Atoms: 369
Models: 9
Best Energy: -8.879 kcal/mol

Binding Energies:
  • Pose 1: -8.879 kcal/mol
  • Pose 2: -8.795 kcal/mol
  • Pose 3: -8.675 kcal/mol
  • Pose 4: -8.607 kcal/mol
  • Pose 5: -8.601 kcal/mol
  • Pose 6: -8.499 kcal/mol
  • Pose 7: -8.401 kcal/mol
  • Pose 8: -8.359 kcal/mol
  • Pose 9: -8.212 kcal/mol
CHEMBL1951596_dpp4
Energy Plot
RMSD Scatter Plot