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

Docking Result

CHEMBL4461587_dpp4

Atoms: 333
Models: 9
Best Energy: -8.672 kcal/mol

Binding Energies:
  • Pose 1: -8.672 kcal/mol
  • Pose 2: -8.054 kcal/mol
  • Pose 3: -8.043 kcal/mol
  • Pose 4: -7.869 kcal/mol
  • Pose 5: -7.84 kcal/mol
  • Pose 6: -7.823 kcal/mol
  • Pose 7: -7.61 kcal/mol
  • Pose 8: -7.54 kcal/mol
  • Pose 9: -7.488 kcal/mol
CHEMBL4461587_dpp4
Energy Plot
RMSD Scatter Plot