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

Docking Result

CHEMBL513725_dpp4

Atoms: 189
Models: 9
Best Energy: -6.588 kcal/mol

Binding Energies:
  • Pose 1: -6.588 kcal/mol
  • Pose 2: -6.386 kcal/mol
  • Pose 3: -6.383 kcal/mol
  • Pose 4: -6.32 kcal/mol
  • Pose 5: -6.311 kcal/mol
  • Pose 6: -6.23 kcal/mol
  • Pose 7: -6.081 kcal/mol
  • Pose 8: -6.017 kcal/mol
  • Pose 9: -5.95 kcal/mol
CHEMBL513725_dpp4
Energy Plot
RMSD Scatter Plot