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

Docking Result

CHEMBL171609_dpp4

Atoms: 288
Models: 9
Best Energy: -9.062 kcal/mol

Binding Energies:
  • Pose 1: -9.062 kcal/mol
  • Pose 2: -8.512 kcal/mol
  • Pose 3: -8.464 kcal/mol
  • Pose 4: -8.372 kcal/mol
  • Pose 5: -8.276 kcal/mol
  • Pose 6: -8.177 kcal/mol
  • Pose 7: -8.103 kcal/mol
  • Pose 8: -8.063 kcal/mol
  • Pose 9: -7.94 kcal/mol
CHEMBL171609_dpp4
Energy Plot
RMSD Scatter Plot