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

Docking Result

CHEMBL1771584_dpp4

Atoms: 297
Models: 9
Best Energy: -9.957 kcal/mol

Binding Energies:
  • Pose 1: -9.957 kcal/mol
  • Pose 2: -9.929 kcal/mol
  • Pose 3: -9.906 kcal/mol
  • Pose 4: -9.748 kcal/mol
  • Pose 5: -9.738 kcal/mol
  • Pose 6: -9.687 kcal/mol
  • Pose 7: -9.643 kcal/mol
  • Pose 8: -9.516 kcal/mol
  • Pose 9: -9.507 kcal/mol
CHEMBL1771584_dpp4
Energy Plot
RMSD Scatter Plot