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

Docking Result

CHEMBL389244_dpp4

Atoms: 198
Models: 9
Best Energy: -7.398 kcal/mol

Binding Energies:
  • Pose 1: -7.398 kcal/mol
  • Pose 2: -6.927 kcal/mol
  • Pose 3: -6.88 kcal/mol
  • Pose 4: -6.847 kcal/mol
  • Pose 5: -6.838 kcal/mol
  • Pose 6: -6.66 kcal/mol
  • Pose 7: -6.605 kcal/mol
  • Pose 8: -6.571 kcal/mol
  • Pose 9: -6.553 kcal/mol
CHEMBL389244_dpp4
Energy Plot
RMSD Scatter Plot