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

Docking Result

CHEMBL563901_dpp4

Atoms: 279
Models: 9
Best Energy: -7.899 kcal/mol

Binding Energies:
  • Pose 1: -7.899 kcal/mol
  • Pose 2: -7.88 kcal/mol
  • Pose 3: -7.837 kcal/mol
  • Pose 4: -7.596 kcal/mol
  • Pose 5: -7.504 kcal/mol
  • Pose 6: -7.36 kcal/mol
  • Pose 7: -7.232 kcal/mol
  • Pose 8: -7.195 kcal/mol
  • Pose 9: -7.122 kcal/mol
CHEMBL563901_dpp4
Energy Plot
RMSD Scatter Plot