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

Docking Result

CHEMBL463231_dpp4

Atoms: 288
Models: 9
Best Energy: -8.131 kcal/mol

Binding Energies:
  • Pose 1: -8.131 kcal/mol
  • Pose 2: -7.782 kcal/mol
  • Pose 3: -7.544 kcal/mol
  • Pose 4: -7.367 kcal/mol
  • Pose 5: -7.342 kcal/mol
  • Pose 6: -7.231 kcal/mol
  • Pose 7: -7.226 kcal/mol
  • Pose 8: -7.118 kcal/mol
  • Pose 9: -7.091 kcal/mol
CHEMBL463231_dpp4
Energy Plot
RMSD Scatter Plot