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

Docking Result

CHEMBL5408749_dpp4

Atoms: 216
Models: 9
Best Energy: -7.252 kcal/mol

Binding Energies:
  • Pose 1: -7.252 kcal/mol
  • Pose 2: -7.162 kcal/mol
  • Pose 3: -7.034 kcal/mol
  • Pose 4: -6.941 kcal/mol
  • Pose 5: -6.924 kcal/mol
  • Pose 6: -6.885 kcal/mol
  • Pose 7: -6.813 kcal/mol
  • Pose 8: -6.81 kcal/mol
  • Pose 9: -6.466 kcal/mol
CHEMBL5408749_dpp4
Energy Plot
RMSD Scatter Plot