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

Docking Result

CHEMBL237357_dpp4

Atoms: 315
Models: 9
Best Energy: -8.218 kcal/mol

Binding Energies:
  • Pose 1: -8.218 kcal/mol
  • Pose 2: -8.195 kcal/mol
  • Pose 3: -8.099 kcal/mol
  • Pose 4: -7.918 kcal/mol
  • Pose 5: -7.856 kcal/mol
  • Pose 6: -7.809 kcal/mol
  • Pose 7: -7.668 kcal/mol
  • Pose 8: -7.638 kcal/mol
  • Pose 9: -7.604 kcal/mol
CHEMBL237357_dpp4
Energy Plot
RMSD Scatter Plot