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

Docking Result

CHEMBL2086607_dpp4

Atoms: 270
Models: 9
Best Energy: -8.233 kcal/mol

Binding Energies:
  • Pose 1: -8.233 kcal/mol
  • Pose 2: -7.956 kcal/mol
  • Pose 3: -7.869 kcal/mol
  • Pose 4: -7.693 kcal/mol
  • Pose 5: -7.609 kcal/mol
  • Pose 6: -7.456 kcal/mol
  • Pose 7: -7.416 kcal/mol
  • Pose 8: -7.378 kcal/mol
  • Pose 9: -7.361 kcal/mol
CHEMBL2086607_dpp4
Energy Plot
RMSD Scatter Plot