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

Docking Result

CHEMBL97977_dpp4

Atoms: 207
Models: 9
Best Energy: -6.857 kcal/mol

Binding Energies:
  • Pose 1: -6.857 kcal/mol
  • Pose 2: -6.724 kcal/mol
  • Pose 3: -6.698 kcal/mol
  • Pose 4: -6.498 kcal/mol
  • Pose 5: -6.383 kcal/mol
  • Pose 6: -6.325 kcal/mol
  • Pose 7: -6.323 kcal/mol
  • Pose 8: -6.26 kcal/mol
  • Pose 9: -6.14 kcal/mol
CHEMBL97977_dpp4
Energy Plot
RMSD Scatter Plot