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

Docking Result

CHEMBL3330068_dpp4

Atoms: 252
Models: 9
Best Energy: -8.567 kcal/mol

Binding Energies:
  • Pose 1: -8.567 kcal/mol
  • Pose 2: -8.561 kcal/mol
  • Pose 3: -8.377 kcal/mol
  • Pose 4: -8.11 kcal/mol
  • Pose 5: -8.016 kcal/mol
  • Pose 6: -7.958 kcal/mol
  • Pose 7: -7.382 kcal/mol
  • Pose 8: -7.338 kcal/mol
  • Pose 9: -7.304 kcal/mol
CHEMBL3330068_dpp4
Energy Plot
RMSD Scatter Plot