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

Docking Result

CHEMBL3675632_dpp4

Atoms: 315
Models: 9
Best Energy: -9.108 kcal/mol

Binding Energies:
  • Pose 1: -9.108 kcal/mol
  • Pose 2: -8.597 kcal/mol
  • Pose 3: -8.371 kcal/mol
  • Pose 4: -8.247 kcal/mol
  • Pose 5: -8.245 kcal/mol
  • Pose 6: -8.244 kcal/mol
  • Pose 7: -8.143 kcal/mol
  • Pose 8: -8.112 kcal/mol
  • Pose 9: -8.036 kcal/mol
CHEMBL3675632_dpp4
Energy Plot
RMSD Scatter Plot