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

Docking Result

CHEMBL245181_dpp4

Atoms: 279
Models: 9
Best Energy: -9.034 kcal/mol

Binding Energies:
  • Pose 1: -9.034 kcal/mol
  • Pose 2: -9.017 kcal/mol
  • Pose 3: -8.753 kcal/mol
  • Pose 4: -8.492 kcal/mol
  • Pose 5: -8.404 kcal/mol
  • Pose 6: -8.185 kcal/mol
  • Pose 7: -8.162 kcal/mol
  • Pose 8: -8.038 kcal/mol
  • Pose 9: -8.021 kcal/mol
CHEMBL245181_dpp4
Energy Plot
RMSD Scatter Plot