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

Docking Result

CHEMBL4797479_dpp4

Atoms: 288
Models: 9
Best Energy: -8.1 kcal/mol

Binding Energies:
  • Pose 1: -8.1 kcal/mol
  • Pose 2: -7.981 kcal/mol
  • Pose 3: -7.885 kcal/mol
  • Pose 4: -7.851 kcal/mol
  • Pose 5: -7.807 kcal/mol
  • Pose 6: -7.756 kcal/mol
  • Pose 7: -7.75 kcal/mol
  • Pose 8: -7.749 kcal/mol
  • Pose 9: -7.695 kcal/mol
CHEMBL4797479_dpp4
Energy Plot
RMSD Scatter Plot