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

Docking Result

CHEMBL2425079_dpp4

Atoms: 234
Models: 9
Best Energy: -8.127 kcal/mol

Binding Energies:
  • Pose 1: -8.127 kcal/mol
  • Pose 2: -7.82 kcal/mol
  • Pose 3: -7.765 kcal/mol
  • Pose 4: -7.369 kcal/mol
  • Pose 5: -7.305 kcal/mol
  • Pose 6: -7.298 kcal/mol
  • Pose 7: -7.187 kcal/mol
  • Pose 8: -7.097 kcal/mol
  • Pose 9: -7.052 kcal/mol
CHEMBL2425079_dpp4
Energy Plot
RMSD Scatter Plot