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

Docking Result

CHEMBL237140_dpp4

Atoms: 315
Models: 9
Best Energy: -8.774 kcal/mol

Binding Energies:
  • Pose 1: -8.774 kcal/mol
  • Pose 2: -8.12 kcal/mol
  • Pose 3: -8.09 kcal/mol
  • Pose 4: -7.845 kcal/mol
  • Pose 5: -7.763 kcal/mol
  • Pose 6: -7.763 kcal/mol
  • Pose 7: -7.752 kcal/mol
  • Pose 8: -7.584 kcal/mol
  • Pose 9: -7.377 kcal/mol
CHEMBL237140_dpp4
Energy Plot
RMSD Scatter Plot