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

Docking Result

CHEMBL1683128_dpp4

Atoms: 306
Models: 9
Best Energy: -8.401 kcal/mol

Binding Energies:
  • Pose 1: -8.401 kcal/mol
  • Pose 2: -7.976 kcal/mol
  • Pose 3: -7.971 kcal/mol
  • Pose 4: -7.823 kcal/mol
  • Pose 5: -7.808 kcal/mol
  • Pose 6: -7.758 kcal/mol
  • Pose 7: -7.584 kcal/mol
  • Pose 8: -7.491 kcal/mol
  • Pose 9: -7.456 kcal/mol
CHEMBL1683128_dpp4
Energy Plot
RMSD Scatter Plot