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

Docking Result

CHEMBL4876933_dpp4

Atoms: 297
Models: 9
Best Energy: -7.784 kcal/mol

Binding Energies:
  • Pose 1: -7.784 kcal/mol
  • Pose 2: -7.61 kcal/mol
  • Pose 3: -7.585 kcal/mol
  • Pose 4: -7.469 kcal/mol
  • Pose 5: -7.398 kcal/mol
  • Pose 6: -7.389 kcal/mol
  • Pose 7: -7.331 kcal/mol
  • Pose 8: -7.27 kcal/mol
  • Pose 9: -7.257 kcal/mol
CHEMBL4876933_dpp4
Energy Plot
RMSD Scatter Plot