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

Docking Result

CHEMBL271062_dpp4

Atoms: 162
Models: 9
Best Energy: -5.981 kcal/mol

Binding Energies:
  • Pose 1: -5.981 kcal/mol
  • Pose 2: -5.932 kcal/mol
  • Pose 3: -5.871 kcal/mol
  • Pose 4: -5.803 kcal/mol
  • Pose 5: -5.684 kcal/mol
  • Pose 6: -5.403 kcal/mol
  • Pose 7: -5.393 kcal/mol
  • Pose 8: -5.367 kcal/mol
  • Pose 9: -5.286 kcal/mol
CHEMBL271062_dpp4
Energy Plot
RMSD Scatter Plot