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

Docking Result

CHEMBL472797_dpp4

Atoms: 270
Models: 9
Best Energy: -7.88 kcal/mol

Binding Energies:
  • Pose 1: -7.88 kcal/mol
  • Pose 2: -7.223 kcal/mol
  • Pose 3: -6.929 kcal/mol
  • Pose 4: -6.896 kcal/mol
  • Pose 5: -6.774 kcal/mol
  • Pose 6: -6.572 kcal/mol
  • Pose 7: -6.449 kcal/mol
  • Pose 8: -6.419 kcal/mol
  • Pose 9: -6.291 kcal/mol
CHEMBL472797_dpp4
Energy Plot
RMSD Scatter Plot