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

Docking Result

CHEMBL389074_dpp4

Atoms: 270
Models: 9
Best Energy: -8.284 kcal/mol

Binding Energies:
  • Pose 1: -8.284 kcal/mol
  • Pose 2: -8.274 kcal/mol
  • Pose 3: -8.216 kcal/mol
  • Pose 4: -8.069 kcal/mol
  • Pose 5: -8.025 kcal/mol
  • Pose 6: -7.808 kcal/mol
  • Pose 7: -7.605 kcal/mol
  • Pose 8: -7.435 kcal/mol
  • Pose 9: -7.319 kcal/mol
CHEMBL389074_dpp4
Energy Plot
RMSD Scatter Plot