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

Docking Result

CHEMBL3357772_dpp4

Atoms: 315
Models: 9
Best Energy: -8.789 kcal/mol

Binding Energies:
  • Pose 1: -8.789 kcal/mol
  • Pose 2: -8.675 kcal/mol
  • Pose 3: -8.67 kcal/mol
  • Pose 4: -8.667 kcal/mol
  • Pose 5: -8.66 kcal/mol
  • Pose 6: -8.478 kcal/mol
  • Pose 7: -8.428 kcal/mol
  • Pose 8: -8.391 kcal/mol
  • Pose 9: -8.376 kcal/mol
CHEMBL3357772_dpp4
Energy Plot
RMSD Scatter Plot