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

Docking Result

CHEMBL455542_dpp4

Atoms: 153
Models: 9
Best Energy: -5.606 kcal/mol

Binding Energies:
  • Pose 1: -5.606 kcal/mol
  • Pose 2: -5.553 kcal/mol
  • Pose 3: -5.476 kcal/mol
  • Pose 4: -5.391 kcal/mol
  • Pose 5: -5.368 kcal/mol
  • Pose 6: -5.311 kcal/mol
  • Pose 7: -5.305 kcal/mol
  • Pose 8: -5.277 kcal/mol
  • Pose 9: -5.208 kcal/mol
CHEMBL455542_dpp4
Energy Plot
RMSD Scatter Plot