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

Docking Result

CHEMBL255769_dpp4

Atoms: 180
Models: 9
Best Energy: -7.325 kcal/mol

Binding Energies:
  • Pose 1: -7.325 kcal/mol
  • Pose 2: -6.573 kcal/mol
  • Pose 3: -6.513 kcal/mol
  • Pose 4: -6.455 kcal/mol
  • Pose 5: -6.289 kcal/mol
  • Pose 6: -6.196 kcal/mol
  • Pose 7: -5.977 kcal/mol
  • Pose 8: -5.902 kcal/mol
  • Pose 9: -5.698 kcal/mol
CHEMBL255769_dpp4
Energy Plot
RMSD Scatter Plot