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

Docking Result

CHEMBL363542_dpp4

Atoms: 216
Models: 9
Best Energy: -6.586 kcal/mol

Binding Energies:
  • Pose 1: -6.586 kcal/mol
  • Pose 2: -6.553 kcal/mol
  • Pose 3: -6.464 kcal/mol
  • Pose 4: -6.437 kcal/mol
  • Pose 5: -6.407 kcal/mol
  • Pose 6: -6.33 kcal/mol
  • Pose 7: -6.304 kcal/mol
  • Pose 8: -6.259 kcal/mol
  • Pose 9: -6.194 kcal/mol
CHEMBL363542_dpp4
Energy Plot
RMSD Scatter Plot