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

Docking Result

CHEMBL563244_dpp4

Atoms: 297
Models: 9
Best Energy: -8.724 kcal/mol

Binding Energies:
  • Pose 1: -8.724 kcal/mol
  • Pose 2: -8.221 kcal/mol
  • Pose 3: -8.154 kcal/mol
  • Pose 4: -7.926 kcal/mol
  • Pose 5: -7.801 kcal/mol
  • Pose 6: -7.714 kcal/mol
  • Pose 7: -7.648 kcal/mol
  • Pose 8: -7.605 kcal/mol
  • Pose 9: -7.596 kcal/mol
CHEMBL563244_dpp4
Energy Plot
RMSD Scatter Plot