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

Docking Result

CHEMBL2086609_dpp4

Atoms: 261
Models: 9
Best Energy: -8.632 kcal/mol

Binding Energies:
  • Pose 1: -8.632 kcal/mol
  • Pose 2: -8.196 kcal/mol
  • Pose 3: -8.177 kcal/mol
  • Pose 4: -7.908 kcal/mol
  • Pose 5: -7.867 kcal/mol
  • Pose 6: -7.802 kcal/mol
  • Pose 7: -7.72 kcal/mol
  • Pose 8: -7.533 kcal/mol
  • Pose 9: -7.496 kcal/mol
CHEMBL2086609_dpp4
Energy Plot
RMSD Scatter Plot