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

Docking Result

CHEMBL5766821_dpp4

Atoms: 171
Models: 9
Best Energy: -7.416 kcal/mol

Binding Energies:
  • Pose 1: -7.416 kcal/mol
  • Pose 2: -6.884 kcal/mol
  • Pose 3: -6.717 kcal/mol
  • Pose 4: -6.583 kcal/mol
  • Pose 5: -6.56 kcal/mol
  • Pose 6: -6.542 kcal/mol
  • Pose 7: -6.468 kcal/mol
  • Pose 8: -6.451 kcal/mol
  • Pose 9: -6.196 kcal/mol
CHEMBL5766821_dpp4
Energy Plot
RMSD Scatter Plot