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

Docking Result

CHEMBL1951436_dpp4

Atoms: 360
Models: 9
Best Energy: -8.1 kcal/mol

Binding Energies:
  • Pose 1: -8.1 kcal/mol
  • Pose 2: -7.995 kcal/mol
  • Pose 3: -7.467 kcal/mol
  • Pose 4: -7.464 kcal/mol
  • Pose 5: -7.41 kcal/mol
  • Pose 6: -7.358 kcal/mol
  • Pose 7: -7.16 kcal/mol
  • Pose 8: -6.953 kcal/mol
  • Pose 9: -6.923 kcal/mol
CHEMBL1951436_dpp4
Energy Plot
RMSD Scatter Plot