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

Docking Result

CHEMBL4758299_dpp4

Atoms: 315
Models: 9
Best Energy: -8.566 kcal/mol

Binding Energies:
  • Pose 1: -8.566 kcal/mol
  • Pose 2: -8.508 kcal/mol
  • Pose 3: -8.473 kcal/mol
  • Pose 4: -8.453 kcal/mol
  • Pose 5: -8.244 kcal/mol
  • Pose 6: -8.118 kcal/mol
  • Pose 7: -8.092 kcal/mol
  • Pose 8: -7.703 kcal/mol
  • Pose 9: -7.681 kcal/mol
CHEMBL4758299_dpp4
Energy Plot
RMSD Scatter Plot