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

Docking Result

CHEMBL99936_dpp4

Atoms: 234
Models: 9
Best Energy: -7.109 kcal/mol

Binding Energies:
  • Pose 1: -7.109 kcal/mol
  • Pose 2: -6.714 kcal/mol
  • Pose 3: -6.571 kcal/mol
  • Pose 4: -6.562 kcal/mol
  • Pose 5: -6.561 kcal/mol
  • Pose 6: -6.512 kcal/mol
  • Pose 7: -6.465 kcal/mol
  • Pose 8: -6.404 kcal/mol
  • Pose 9: -6.311 kcal/mol
CHEMBL99936_dpp4
Energy Plot
RMSD Scatter Plot