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

Docking Result

CHEMBL355203_dpp4

Atoms: 270
Models: 9
Best Energy: -7.726 kcal/mol

Binding Energies:
  • Pose 1: -7.726 kcal/mol
  • Pose 2: -7.723 kcal/mol
  • Pose 3: -7.477 kcal/mol
  • Pose 4: -7.447 kcal/mol
  • Pose 5: -7.359 kcal/mol
  • Pose 6: -7.183 kcal/mol
  • Pose 7: -7.11 kcal/mol
  • Pose 8: -7.066 kcal/mol
  • Pose 9: -6.966 kcal/mol
CHEMBL355203_dpp4
Energy Plot
RMSD Scatter Plot