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

Docking Result

CHEMBL5219299_dpp4

Atoms: 144
Models: 9
Best Energy: -5.172 kcal/mol

Binding Energies:
  • Pose 1: -5.172 kcal/mol
  • Pose 2: -5.124 kcal/mol
  • Pose 3: -5.104 kcal/mol
  • Pose 4: -5.036 kcal/mol
  • Pose 5: -4.975 kcal/mol
  • Pose 6: -4.971 kcal/mol
  • Pose 7: -4.929 kcal/mol
  • Pose 8: -4.859 kcal/mol
  • Pose 9: -4.825 kcal/mol
CHEMBL5219299_dpp4
Energy Plot
RMSD Scatter Plot