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

Docking Result

CHEMBL3357774_dpp4

Atoms: 261
Models: 9
Best Energy: -8.045 kcal/mol

Binding Energies:
  • Pose 1: -8.045 kcal/mol
  • Pose 2: -7.86 kcal/mol
  • Pose 3: -7.847 kcal/mol
  • Pose 4: -7.809 kcal/mol
  • Pose 5: -7.664 kcal/mol
  • Pose 6: -7.648 kcal/mol
  • Pose 7: -7.585 kcal/mol
  • Pose 8: -7.501 kcal/mol
  • Pose 9: -7.459 kcal/mol
CHEMBL3357774_dpp4
Energy Plot
RMSD Scatter Plot