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

Docking Result

CHEMBL402819_dpp4

Atoms: 333
Models: 9
Best Energy: -9.166 kcal/mol

Binding Energies:
  • Pose 1: -9.166 kcal/mol
  • Pose 2: -8.487 kcal/mol
  • Pose 3: -8.435 kcal/mol
  • Pose 4: -8.405 kcal/mol
  • Pose 5: -8.334 kcal/mol
  • Pose 6: -8.303 kcal/mol
  • Pose 7: -8.268 kcal/mol
  • Pose 8: -8.231 kcal/mol
  • Pose 9: -8.134 kcal/mol
CHEMBL402819_dpp4
Energy Plot
RMSD Scatter Plot