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

Docking Result

CHEMBL3968249_dpp4

Atoms: 387
Models: 9
Best Energy: -7.791 kcal/mol

Binding Energies:
  • Pose 1: -7.791 kcal/mol
  • Pose 2: -7.6 kcal/mol
  • Pose 3: -7.557 kcal/mol
  • Pose 4: -7.413 kcal/mol
  • Pose 5: -7.313 kcal/mol
  • Pose 6: -7.229 kcal/mol
  • Pose 7: -7.2 kcal/mol
  • Pose 8: -7.145 kcal/mol
  • Pose 9: -7.06 kcal/mol
CHEMBL3968249_dpp4
Energy Plot
RMSD Scatter Plot