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

Docking Result

CHEMBL3233562_dpp4

Atoms: 189
Models: 9
Best Energy: -7.35 kcal/mol

Binding Energies:
  • Pose 1: -7.35 kcal/mol
  • Pose 2: -6.52 kcal/mol
  • Pose 3: -6.444 kcal/mol
  • Pose 4: -6.398 kcal/mol
  • Pose 5: -6.311 kcal/mol
  • Pose 6: -6.188 kcal/mol
  • Pose 7: -6.157 kcal/mol
  • Pose 8: -5.971 kcal/mol
  • Pose 9: -5.717 kcal/mol
CHEMBL3233562_dpp4
Energy Plot
RMSD Scatter Plot