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

Docking Result

CHEMBL565813_dpp4

Atoms: 306
Models: 9
Best Energy: -8.18 kcal/mol

Binding Energies:
  • Pose 1: -8.18 kcal/mol
  • Pose 2: -8.18 kcal/mol
  • Pose 3: -8.156 kcal/mol
  • Pose 4: -8.092 kcal/mol
  • Pose 5: -7.97 kcal/mol
  • Pose 6: -7.854 kcal/mol
  • Pose 7: -7.791 kcal/mol
  • Pose 8: -7.752 kcal/mol
  • Pose 9: -7.713 kcal/mol
CHEMBL565813_dpp4
Energy Plot
RMSD Scatter Plot