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

Docking Result

CHEMBL363319_dpp4

Atoms: 198
Models: 9
Best Energy: -7.146 kcal/mol

Binding Energies:
  • Pose 1: -7.146 kcal/mol
  • Pose 2: -6.742 kcal/mol
  • Pose 3: -6.435 kcal/mol
  • Pose 4: -6.415 kcal/mol
  • Pose 5: -6.37 kcal/mol
  • Pose 6: -6.248 kcal/mol
  • Pose 7: -6.197 kcal/mol
  • Pose 8: -6.057 kcal/mol
  • Pose 9: -5.973 kcal/mol
CHEMBL363319_dpp4
Energy Plot
RMSD Scatter Plot