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

Docking Result

CHEMBL3697947_dpp4

Atoms: 297
Models: 9
Best Energy: -8.753 kcal/mol

Binding Energies:
  • Pose 1: -8.753 kcal/mol
  • Pose 2: -8.577 kcal/mol
  • Pose 3: -7.98 kcal/mol
  • Pose 4: -7.974 kcal/mol
  • Pose 5: -7.9 kcal/mol
  • Pose 6: -7.743 kcal/mol
  • Pose 7: -7.366 kcal/mol
  • Pose 8: -7.315 kcal/mol
  • Pose 9: -7.276 kcal/mol
CHEMBL3697947_dpp4
Energy Plot
RMSD Scatter Plot