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

Docking Result

CHEMBL433572_dpp4

Atoms: 189
Models: 9
Best Energy: -6.979 kcal/mol

Binding Energies:
  • Pose 1: -6.979 kcal/mol
  • Pose 2: -6.79 kcal/mol
  • Pose 3: -6.533 kcal/mol
  • Pose 4: -6.477 kcal/mol
  • Pose 5: -6.444 kcal/mol
  • Pose 6: -6.396 kcal/mol
  • Pose 7: -6.291 kcal/mol
  • Pose 8: -6.257 kcal/mol
  • Pose 9: -6.136 kcal/mol
CHEMBL433572_dpp4
Energy Plot
RMSD Scatter Plot