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

Docking Result

CHEMBL2425892_dpp4

Atoms: 306
Models: 9
Best Energy: -8.381 kcal/mol

Binding Energies:
  • Pose 1: -8.381 kcal/mol
  • Pose 2: -8.158 kcal/mol
  • Pose 3: -7.924 kcal/mol
  • Pose 4: -7.828 kcal/mol
  • Pose 5: -7.578 kcal/mol
  • Pose 6: -7.521 kcal/mol
  • Pose 7: -7.444 kcal/mol
  • Pose 8: -7.415 kcal/mol
  • Pose 9: -7.315 kcal/mol
CHEMBL2425892_dpp4
Energy Plot
RMSD Scatter Plot