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

Docking Result

CHEMBL563648_dpp4

Atoms: 270
Models: 9
Best Energy: -8.276 kcal/mol

Binding Energies:
  • Pose 1: -8.276 kcal/mol
  • Pose 2: -7.857 kcal/mol
  • Pose 3: -7.747 kcal/mol
  • Pose 4: -7.714 kcal/mol
  • Pose 5: -7.676 kcal/mol
  • Pose 6: -7.604 kcal/mol
  • Pose 7: -7.577 kcal/mol
  • Pose 8: -7.561 kcal/mol
  • Pose 9: -7.529 kcal/mol
CHEMBL563648_dpp4
Energy Plot
RMSD Scatter Plot