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

Docking Result

CHEMBL3889902_dpp4

Atoms: 351
Models: 9
Best Energy: -7.476 kcal/mol

Binding Energies:
  • Pose 1: -7.476 kcal/mol
  • Pose 2: -7.381 kcal/mol
  • Pose 3: -7.292 kcal/mol
  • Pose 4: -7.27 kcal/mol
  • Pose 5: -7.24 kcal/mol
  • Pose 6: -7.108 kcal/mol
  • Pose 7: -7.085 kcal/mol
  • Pose 8: -7.071 kcal/mol
  • Pose 9: -7.064 kcal/mol
CHEMBL3889902_dpp4
Energy Plot
RMSD Scatter Plot