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

Docking Result

CHEMBL187118_dpp4

Atoms: 180
Models: 9
Best Energy: -6.667 kcal/mol

Binding Energies:
  • Pose 1: -6.667 kcal/mol
  • Pose 2: -6.629 kcal/mol
  • Pose 3: -6.502 kcal/mol
  • Pose 4: -6.479 kcal/mol
  • Pose 5: -6.382 kcal/mol
  • Pose 6: -6.351 kcal/mol
  • Pose 7: -6.348 kcal/mol
  • Pose 8: -6.261 kcal/mol
  • Pose 9: -6.246 kcal/mol
CHEMBL187118_dpp4
Energy Plot
RMSD Scatter Plot