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

Docking Result

CHEMBL564043_dpp4

Atoms: 315
Models: 9
Best Energy: -8.734 kcal/mol

Binding Energies:
  • Pose 1: -8.734 kcal/mol
  • Pose 2: -8.176 kcal/mol
  • Pose 3: -8.124 kcal/mol
  • Pose 4: -8.078 kcal/mol
  • Pose 5: -8.051 kcal/mol
  • Pose 6: -7.979 kcal/mol
  • Pose 7: -7.945 kcal/mol
  • Pose 8: -7.897 kcal/mol
  • Pose 9: -7.812 kcal/mol
CHEMBL564043_dpp4
Energy Plot
RMSD Scatter Plot