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

Docking Result

CHEMBL401971_dpp4

Atoms: 297
Models: 9
Best Energy: -8.409 kcal/mol

Binding Energies:
  • Pose 1: -8.409 kcal/mol
  • Pose 2: -8.116 kcal/mol
  • Pose 3: -7.967 kcal/mol
  • Pose 4: -7.958 kcal/mol
  • Pose 5: -7.924 kcal/mol
  • Pose 6: -7.849 kcal/mol
  • Pose 7: -7.846 kcal/mol
  • Pose 8: -7.815 kcal/mol
  • Pose 9: -7.606 kcal/mol
CHEMBL401971_dpp4
Energy Plot
RMSD Scatter Plot