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

Docking Result

CHEMBL3955534_dpp4

Atoms: 378
Models: 9
Best Energy: -8.389 kcal/mol

Binding Energies:
  • Pose 1: -8.389 kcal/mol
  • Pose 2: -7.682 kcal/mol
  • Pose 3: -7.535 kcal/mol
  • Pose 4: -7.362 kcal/mol
  • Pose 5: -7.252 kcal/mol
  • Pose 6: -7.232 kcal/mol
  • Pose 7: -7.215 kcal/mol
  • Pose 8: -7.21 kcal/mol
  • Pose 9: -7.095 kcal/mol
CHEMBL3955534_dpp4
Energy Plot
RMSD Scatter Plot