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

Docking Result

CHEMBL3233566_dpp4

Atoms: 180
Models: 9
Best Energy: -6.743 kcal/mol

Binding Energies:
  • Pose 1: -6.743 kcal/mol
  • Pose 2: -6.671 kcal/mol
  • Pose 3: -6.564 kcal/mol
  • Pose 4: -6.548 kcal/mol
  • Pose 5: -6.511 kcal/mol
  • Pose 6: -6.51 kcal/mol
  • Pose 7: -6.435 kcal/mol
  • Pose 8: -6.356 kcal/mol
  • Pose 9: -6.241 kcal/mol
CHEMBL3233566_dpp4
Energy Plot
RMSD Scatter Plot