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

Docking Result

CHEMBL4779526_dpp4

Atoms: 261
Models: 9
Best Energy: -7.796 kcal/mol

Binding Energies:
  • Pose 1: -7.796 kcal/mol
  • Pose 2: -7.696 kcal/mol
  • Pose 3: -7.395 kcal/mol
  • Pose 4: -7.228 kcal/mol
  • Pose 5: -7.18 kcal/mol
  • Pose 6: -7.062 kcal/mol
  • Pose 7: -6.803 kcal/mol
  • Pose 8: -6.772 kcal/mol
  • Pose 9: -6.729 kcal/mol
CHEMBL4779526_dpp4
Energy Plot
RMSD Scatter Plot