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

Docking Result

CHEMBL513425_dpp4

Atoms: 306
Models: 9
Best Energy: -6.653 kcal/mol

Binding Energies:
  • Pose 1: -6.653 kcal/mol
  • Pose 2: -6.454 kcal/mol
  • Pose 3: -6.441 kcal/mol
  • Pose 4: -6.099 kcal/mol
  • Pose 5: -6.052 kcal/mol
  • Pose 6: -5.965 kcal/mol
  • Pose 7: -5.765 kcal/mol
  • Pose 8: -5.76 kcal/mol
  • Pose 9: -5.721 kcal/mol
CHEMBL513425_dpp4
Energy Plot
RMSD Scatter Plot