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

Docking Result

CHEMBL585663_dpp4

Atoms: 270
Models: 9
Best Energy: -8.103 kcal/mol

Binding Energies:
  • Pose 1: -8.103 kcal/mol
  • Pose 2: -8.052 kcal/mol
  • Pose 3: -8.025 kcal/mol
  • Pose 4: -7.896 kcal/mol
  • Pose 5: -7.858 kcal/mol
  • Pose 6: -7.697 kcal/mol
  • Pose 7: -7.609 kcal/mol
  • Pose 8: -7.535 kcal/mol
  • Pose 9: -7.422 kcal/mol
CHEMBL585663_dpp4
Energy Plot
RMSD Scatter Plot