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

Docking Result

CHEMBL591290_dpp4

Atoms: 252
Models: 9
Best Energy: -7.25 kcal/mol

Binding Energies:
  • Pose 1: -7.25 kcal/mol
  • Pose 2: -7.138 kcal/mol
  • Pose 3: -6.943 kcal/mol
  • Pose 4: -6.884 kcal/mol
  • Pose 5: -6.846 kcal/mol
  • Pose 6: -6.683 kcal/mol
  • Pose 7: -6.648 kcal/mol
  • Pose 8: -6.493 kcal/mol
  • Pose 9: -6.406 kcal/mol
CHEMBL591290_dpp4
Energy Plot
RMSD Scatter Plot