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

Docking Result

CHEMBL540711_dpp4

Atoms: 261
Models: 9
Best Energy: -7.693 kcal/mol

Binding Energies:
  • Pose 1: -7.693 kcal/mol
  • Pose 2: -7.543 kcal/mol
  • Pose 3: -7.192 kcal/mol
  • Pose 4: -6.96 kcal/mol
  • Pose 5: -6.78 kcal/mol
  • Pose 6: -6.707 kcal/mol
  • Pose 7: -6.653 kcal/mol
  • Pose 8: -6.641 kcal/mol
  • Pose 9: -6.593 kcal/mol
CHEMBL540711_dpp4
Energy Plot
RMSD Scatter Plot