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

Docking Result

CHEMBL3233545_dpp4

Atoms: 243
Models: 9
Best Energy: -7.152 kcal/mol

Binding Energies:
  • Pose 1: -7.152 kcal/mol
  • Pose 2: -7.127 kcal/mol
  • Pose 3: -7.123 kcal/mol
  • Pose 4: -7.095 kcal/mol
  • Pose 5: -7.09 kcal/mol
  • Pose 6: -7.069 kcal/mol
  • Pose 7: -7.016 kcal/mol
  • Pose 8: -6.88 kcal/mol
  • Pose 9: -6.846 kcal/mol
CHEMBL3233545_dpp4
Energy Plot
RMSD Scatter Plot