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

Docking Result

CHEMBL4776878_dpp4

Atoms: 216
Models: 9
Best Energy: -7.998 kcal/mol

Binding Energies:
  • Pose 1: -7.998 kcal/mol
  • Pose 2: -7.403 kcal/mol
  • Pose 3: -7.388 kcal/mol
  • Pose 4: -7.346 kcal/mol
  • Pose 5: -7.246 kcal/mol
  • Pose 6: -6.996 kcal/mol
  • Pose 7: -6.952 kcal/mol
  • Pose 8: -6.894 kcal/mol
  • Pose 9: -6.89 kcal/mol
CHEMBL4776878_dpp4
Energy Plot
RMSD Scatter Plot