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

Docking Result

CHEMBL552404_dpp4

Atoms: 189
Models: 9
Best Energy: -7.698 kcal/mol

Binding Energies:
  • Pose 1: -7.698 kcal/mol
  • Pose 2: -7.181 kcal/mol
  • Pose 3: -7.148 kcal/mol
  • Pose 4: -7.009 kcal/mol
  • Pose 5: -7.003 kcal/mol
  • Pose 6: -6.898 kcal/mol
  • Pose 7: -6.832 kcal/mol
  • Pose 8: -6.601 kcal/mol
  • Pose 9: -6.579 kcal/mol
CHEMBL552404_dpp4
Energy Plot
RMSD Scatter Plot