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

Docking Result

CHEMBL3806216_dpp4

Atoms: 261
Models: 9
Best Energy: -9.24 kcal/mol

Binding Energies:
  • Pose 1: -9.24 kcal/mol
  • Pose 2: -8.743 kcal/mol
  • Pose 3: -7.799 kcal/mol
  • Pose 4: -7.689 kcal/mol
  • Pose 5: -7.508 kcal/mol
  • Pose 6: -7.375 kcal/mol
  • Pose 7: -7.321 kcal/mol
  • Pose 8: -7.29 kcal/mol
  • Pose 9: -7.281 kcal/mol
CHEMBL3806216_dpp4
Energy Plot
RMSD Scatter Plot