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

Docking Result

CHEMBL355051_dpp4

Atoms: 171
Models: 9
Best Energy: -6.589 kcal/mol

Binding Energies:
  • Pose 1: -6.589 kcal/mol
  • Pose 2: -6.46 kcal/mol
  • Pose 3: -6.361 kcal/mol
  • Pose 4: -6.357 kcal/mol
  • Pose 5: -6.229 kcal/mol
  • Pose 6: -6.216 kcal/mol
  • Pose 7: -6.073 kcal/mol
  • Pose 8: -6.053 kcal/mol
  • Pose 9: -5.93 kcal/mol
CHEMBL355051_dpp4
Energy Plot
RMSD Scatter Plot