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

Docking Result

CHEMBL186611_dpp4

Atoms: 252
Models: 9
Best Energy: -8.248 kcal/mol

Binding Energies:
  • Pose 1: -8.248 kcal/mol
  • Pose 2: -8.017 kcal/mol
  • Pose 3: -7.902 kcal/mol
  • Pose 4: -7.737 kcal/mol
  • Pose 5: -7.633 kcal/mol
  • Pose 6: -7.494 kcal/mol
  • Pose 7: -7.457 kcal/mol
  • Pose 8: -7.399 kcal/mol
  • Pose 9: -7.315 kcal/mol
CHEMBL186611_dpp4
Energy Plot
RMSD Scatter Plot