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

Docking Result

CHEMBL515869_dpp4

Atoms: 261
Models: 9
Best Energy: -8.018 kcal/mol

Binding Energies:
  • Pose 1: -8.018 kcal/mol
  • Pose 2: -7.846 kcal/mol
  • Pose 3: -7.647 kcal/mol
  • Pose 4: -7.63 kcal/mol
  • Pose 5: -7.436 kcal/mol
  • Pose 6: -7.431 kcal/mol
  • Pose 7: -7.285 kcal/mol
  • Pose 8: -7.222 kcal/mol
  • Pose 9: -7.086 kcal/mol
CHEMBL515869_dpp4
Energy Plot
RMSD Scatter Plot