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

Docking Result

CHEMBL1650416_dpp4

Atoms: 288
Models: 9
Best Energy: -8.499 kcal/mol

Binding Energies:
  • Pose 1: -8.499 kcal/mol
  • Pose 2: -8.383 kcal/mol
  • Pose 3: -8.222 kcal/mol
  • Pose 4: -8.152 kcal/mol
  • Pose 5: -8.019 kcal/mol
  • Pose 6: -8.01 kcal/mol
  • Pose 7: -7.915 kcal/mol
  • Pose 8: -7.79 kcal/mol
  • Pose 9: -7.691 kcal/mol
CHEMBL1650416_dpp4
Energy Plot
RMSD Scatter Plot