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

Docking Result

CHEMBL1683569_dpp4

Atoms: 252
Models: 9
Best Energy: -7.798 kcal/mol

Binding Energies:
  • Pose 1: -7.798 kcal/mol
  • Pose 2: -7.51 kcal/mol
  • Pose 3: -7.484 kcal/mol
  • Pose 4: -7.467 kcal/mol
  • Pose 5: -7.399 kcal/mol
  • Pose 6: -7.378 kcal/mol
  • Pose 7: -7.35 kcal/mol
  • Pose 8: -7.336 kcal/mol
  • Pose 9: -7.187 kcal/mol
CHEMBL1683569_dpp4
Energy Plot
RMSD Scatter Plot