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

Docking Result

CHEMBL353840_dpp4

Atoms: 270
Models: 9
Best Energy: -8.808 kcal/mol

Binding Energies:
  • Pose 1: -8.808 kcal/mol
  • Pose 2: -8.21 kcal/mol
  • Pose 3: -8.184 kcal/mol
  • Pose 4: -8.061 kcal/mol
  • Pose 5: -7.984 kcal/mol
  • Pose 6: -7.898 kcal/mol
  • Pose 7: -7.894 kcal/mol
  • Pose 8: -7.86 kcal/mol
  • Pose 9: -7.808 kcal/mol
CHEMBL353840_dpp4
Energy Plot
RMSD Scatter Plot