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

Docking Result

CHEMBL3694424_dpp4

Atoms: 315
Models: 9
Best Energy: -8.214 kcal/mol

Binding Energies:
  • Pose 1: -8.214 kcal/mol
  • Pose 2: -8.213 kcal/mol
  • Pose 3: -8.191 kcal/mol
  • Pose 4: -8.164 kcal/mol
  • Pose 5: -7.949 kcal/mol
  • Pose 6: -7.913 kcal/mol
  • Pose 7: -7.904 kcal/mol
  • Pose 8: -7.865 kcal/mol
  • Pose 9: -7.839 kcal/mol
CHEMBL3694424_dpp4
Energy Plot
RMSD Scatter Plot