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

Docking Result

CHEMBL237568_dpp4

Atoms: 297
Models: 9
Best Energy: -8.792 kcal/mol

Binding Energies:
  • Pose 1: -8.792 kcal/mol
  • Pose 2: -8.716 kcal/mol
  • Pose 3: -8.57 kcal/mol
  • Pose 4: -8.398 kcal/mol
  • Pose 5: -8.272 kcal/mol
  • Pose 6: -8.263 kcal/mol
  • Pose 7: -8.187 kcal/mol
  • Pose 8: -8.054 kcal/mol
  • Pose 9: -8.053 kcal/mol
CHEMBL237568_dpp4
Energy Plot
RMSD Scatter Plot