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

Docking Result

CHEMBL2069851_dpp4

Atoms: 279
Models: 9
Best Energy: -8.528 kcal/mol

Binding Energies:
  • Pose 1: -8.528 kcal/mol
  • Pose 2: -8.252 kcal/mol
  • Pose 3: -8.172 kcal/mol
  • Pose 4: -8.164 kcal/mol
  • Pose 5: -8.023 kcal/mol
  • Pose 6: -8.007 kcal/mol
  • Pose 7: -7.969 kcal/mol
  • Pose 8: -7.883 kcal/mol
  • Pose 9: -7.716 kcal/mol
CHEMBL2069851_dpp4
Energy Plot
RMSD Scatter Plot