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

Docking Result

CHEMBL527015_dpp4

Atoms: 225
Models: 9
Best Energy: -7.891 kcal/mol

Binding Energies:
  • Pose 1: -7.891 kcal/mol
  • Pose 2: -7.637 kcal/mol
  • Pose 3: -7.562 kcal/mol
  • Pose 4: -7.552 kcal/mol
  • Pose 5: -7.539 kcal/mol
  • Pose 6: -7.505 kcal/mol
  • Pose 7: -7.471 kcal/mol
  • Pose 8: -7.276 kcal/mol
  • Pose 9: -7.232 kcal/mol
CHEMBL527015_dpp4
Energy Plot
RMSD Scatter Plot