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

Docking Result

CHEMBL6014809_dpp4

Atoms: 180
Models: 9
Best Energy: -7.116 kcal/mol

Binding Energies:
  • Pose 1: -7.116 kcal/mol
  • Pose 2: -6.893 kcal/mol
  • Pose 3: -6.756 kcal/mol
  • Pose 4: -6.622 kcal/mol
  • Pose 5: -6.5 kcal/mol
  • Pose 6: -6.491 kcal/mol
  • Pose 7: -6.391 kcal/mol
  • Pose 8: -6.371 kcal/mol
  • Pose 9: -6.063 kcal/mol
CHEMBL6014809_dpp4
Energy Plot
RMSD Scatter Plot