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

Docking Result

CHEMBL218911_dpp4

Atoms: 270
Models: 9
Best Energy: -7.976 kcal/mol

Binding Energies:
  • Pose 1: -7.976 kcal/mol
  • Pose 2: -7.912 kcal/mol
  • Pose 3: -7.631 kcal/mol
  • Pose 4: -7.507 kcal/mol
  • Pose 5: -7.449 kcal/mol
  • Pose 6: -7.369 kcal/mol
  • Pose 7: -7.343 kcal/mol
  • Pose 8: -7.227 kcal/mol
  • Pose 9: -7.206 kcal/mol
CHEMBL218911_dpp4
Energy Plot
RMSD Scatter Plot