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

Docking Result

CHEMBL3957746_dpp4

Atoms: 387
Models: 9
Best Energy: -9.323 kcal/mol

Binding Energies:
  • Pose 1: -9.323 kcal/mol
  • Pose 2: -9.054 kcal/mol
  • Pose 3: -9.049 kcal/mol
  • Pose 4: -8.973 kcal/mol
  • Pose 5: -8.654 kcal/mol
  • Pose 6: -8.583 kcal/mol
  • Pose 7: -8.54 kcal/mol
  • Pose 8: -8.535 kcal/mol
  • Pose 9: -8.462 kcal/mol
CHEMBL3957746_dpp4
Energy Plot
RMSD Scatter Plot