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

Docking Result

CHEMBL201158_dpp4

Atoms: 243
Models: 9
Best Energy: -8.011 kcal/mol

Binding Energies:
  • Pose 1: -8.011 kcal/mol
  • Pose 2: -7.551 kcal/mol
  • Pose 3: -7.506 kcal/mol
  • Pose 4: -7.491 kcal/mol
  • Pose 5: -7.456 kcal/mol
  • Pose 6: -7.422 kcal/mol
  • Pose 7: -7.403 kcal/mol
  • Pose 8: -7.338 kcal/mol
  • Pose 9: -7.138 kcal/mol
CHEMBL201158_dpp4
Energy Plot
RMSD Scatter Plot