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

Docking Result

CHEMBL1682980_dpp4

Atoms: 315
Models: 9
Best Energy: -8.48 kcal/mol

Binding Energies:
  • Pose 1: -8.48 kcal/mol
  • Pose 2: -8.448 kcal/mol
  • Pose 3: -8.028 kcal/mol
  • Pose 4: -8.02 kcal/mol
  • Pose 5: -8.014 kcal/mol
  • Pose 6: -7.923 kcal/mol
  • Pose 7: -7.8 kcal/mol
  • Pose 8: -7.783 kcal/mol
  • Pose 9: -7.713 kcal/mol
CHEMBL1682980_dpp4
Energy Plot
RMSD Scatter Plot