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

Docking Result

CHEMBL96160_dpp4

Atoms: 153
Models: 9
Best Energy: -5.24 kcal/mol

Binding Energies:
  • Pose 1: -5.24 kcal/mol
  • Pose 2: -5.201 kcal/mol
  • Pose 3: -5.189 kcal/mol
  • Pose 4: -5.157 kcal/mol
  • Pose 5: -5.123 kcal/mol
  • Pose 6: -5.115 kcal/mol
  • Pose 7: -5.108 kcal/mol
  • Pose 8: -5.097 kcal/mol
  • Pose 9: -5.069 kcal/mol
CHEMBL96160_dpp4
Energy Plot
RMSD Scatter Plot