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

Docking Result

CHEMBL175764_dpp4

Atoms: 171
Models: 9
Best Energy: -6.359 kcal/mol

Binding Energies:
  • Pose 1: -6.359 kcal/mol
  • Pose 2: -6.337 kcal/mol
  • Pose 3: -6.194 kcal/mol
  • Pose 4: -6.188 kcal/mol
  • Pose 5: -6.03 kcal/mol
  • Pose 6: -5.96 kcal/mol
  • Pose 7: -5.952 kcal/mol
  • Pose 8: -5.92 kcal/mol
  • Pose 9: -5.913 kcal/mol
CHEMBL175764_dpp4
Energy Plot
RMSD Scatter Plot