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

Docking Result

CHEMBL269277_dpp4

Atoms: 315
Models: 9
Best Energy: -9.19 kcal/mol

Binding Energies:
  • Pose 1: -9.19 kcal/mol
  • Pose 2: -8.629 kcal/mol
  • Pose 3: -8.241 kcal/mol
  • Pose 4: -8.188 kcal/mol
  • Pose 5: -7.991 kcal/mol
  • Pose 6: -7.91 kcal/mol
  • Pose 7: -7.858 kcal/mol
  • Pose 8: -7.713 kcal/mol
  • Pose 9: -7.479 kcal/mol
CHEMBL269277_dpp4
Energy Plot
RMSD Scatter Plot