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

Docking Result

CHEMBL3980269_dpp4

Atoms: 351
Models: 9
Best Energy: -9.257 kcal/mol

Binding Energies:
  • Pose 1: -9.257 kcal/mol
  • Pose 2: -8.836 kcal/mol
  • Pose 3: -8.624 kcal/mol
  • Pose 4: -8.585 kcal/mol
  • Pose 5: -8.551 kcal/mol
  • Pose 6: -8.258 kcal/mol
  • Pose 7: -8.193 kcal/mol
  • Pose 8: -8.163 kcal/mol
  • Pose 9: -8.123 kcal/mol
CHEMBL3980269_dpp4
Energy Plot
RMSD Scatter Plot