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

Docking Result

CHEMBL585290_dpp4

Atoms: 279
Models: 9
Best Energy: -8.262 kcal/mol

Binding Energies:
  • Pose 1: -8.262 kcal/mol
  • Pose 2: -8.054 kcal/mol
  • Pose 3: -7.813 kcal/mol
  • Pose 4: -7.637 kcal/mol
  • Pose 5: -7.623 kcal/mol
  • Pose 6: -7.518 kcal/mol
  • Pose 7: -7.467 kcal/mol
  • Pose 8: -7.385 kcal/mol
  • Pose 9: -7.106 kcal/mol
CHEMBL585290_dpp4
Energy Plot
RMSD Scatter Plot