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

Docking Result

CHEMBL558452_dpp4

Atoms: 288
Models: 9
Best Energy: -8.028 kcal/mol

Binding Energies:
  • Pose 1: -8.028 kcal/mol
  • Pose 2: -7.949 kcal/mol
  • Pose 3: -7.893 kcal/mol
  • Pose 4: -7.715 kcal/mol
  • Pose 5: -7.555 kcal/mol
  • Pose 6: -7.544 kcal/mol
  • Pose 7: -7.448 kcal/mol
  • Pose 8: -7.36 kcal/mol
  • Pose 9: -7.349 kcal/mol
CHEMBL558452_dpp4
Energy Plot
RMSD Scatter Plot