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

Docking Result

CHEMBL3805235_dpp4

Atoms: 279
Models: 9
Best Energy: -9.151 kcal/mol

Binding Energies:
  • Pose 1: -9.151 kcal/mol
  • Pose 2: -8.903 kcal/mol
  • Pose 3: -8.418 kcal/mol
  • Pose 4: -8.324 kcal/mol
  • Pose 5: -8.244 kcal/mol
  • Pose 6: -8.127 kcal/mol
  • Pose 7: -8.031 kcal/mol
  • Pose 8: -8.017 kcal/mol
  • Pose 9: -8.013 kcal/mol
CHEMBL3805235_dpp4
Energy Plot
RMSD Scatter Plot