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

Docking Result

CHEMBL3804940_dpp4

Atoms: 279
Models: 9
Best Energy: -8.952 kcal/mol

Binding Energies:
  • Pose 1: -8.952 kcal/mol
  • Pose 2: -8.628 kcal/mol
  • Pose 3: -8.579 kcal/mol
  • Pose 4: -8.399 kcal/mol
  • Pose 5: -8.227 kcal/mol
  • Pose 6: -8.185 kcal/mol
  • Pose 7: -8.132 kcal/mol
  • Pose 8: -7.812 kcal/mol
  • Pose 9: -7.774 kcal/mol
CHEMBL3804940_dpp4
Energy Plot
RMSD Scatter Plot