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

Docking Result

CHEMBL3329690_dpp4

Atoms: 261
Models: 9
Best Energy: -8.452 kcal/mol

Binding Energies:
  • Pose 1: -8.452 kcal/mol
  • Pose 2: -7.798 kcal/mol
  • Pose 3: -7.695 kcal/mol
  • Pose 4: -7.608 kcal/mol
  • Pose 5: -7.379 kcal/mol
  • Pose 6: -7.343 kcal/mol
  • Pose 7: -7.21 kcal/mol
  • Pose 8: -7.177 kcal/mol
  • Pose 9: -7.165 kcal/mol
CHEMBL3329690_dpp4
Energy Plot
RMSD Scatter Plot