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

Docking Result

CHEMBL563272_dpp4

Atoms: 279
Models: 9
Best Energy: -7.908 kcal/mol

Binding Energies:
  • Pose 1: -7.908 kcal/mol
  • Pose 2: -7.676 kcal/mol
  • Pose 3: -7.658 kcal/mol
  • Pose 4: -7.605 kcal/mol
  • Pose 5: -7.454 kcal/mol
  • Pose 6: -7.442 kcal/mol
  • Pose 7: -7.418 kcal/mol
  • Pose 8: -7.41 kcal/mol
  • Pose 9: -7.258 kcal/mol
CHEMBL563272_dpp4
Energy Plot
RMSD Scatter Plot