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

Docking Result

CHEMBL93354_dpp4

Atoms: 207
Models: 9
Best Energy: -6.651 kcal/mol

Binding Energies:
  • Pose 1: -6.651 kcal/mol
  • Pose 2: -6.567 kcal/mol
  • Pose 3: -6.42 kcal/mol
  • Pose 4: -6.381 kcal/mol
  • Pose 5: -6.335 kcal/mol
  • Pose 6: -6.327 kcal/mol
  • Pose 7: -6.295 kcal/mol
  • Pose 8: -6.215 kcal/mol
  • Pose 9: -6.154 kcal/mol
CHEMBL93354_dpp4
Energy Plot
RMSD Scatter Plot