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

Docking Result

CHEMBL37655_dpp4

Atoms: 252
Models: 9
Best Energy: -7.945 kcal/mol

Binding Energies:
  • Pose 1: -7.945 kcal/mol
  • Pose 2: -7.567 kcal/mol
  • Pose 3: -7.474 kcal/mol
  • Pose 4: -7.414 kcal/mol
  • Pose 5: -7.33 kcal/mol
  • Pose 6: -7.213 kcal/mol
  • Pose 7: -7.17 kcal/mol
  • Pose 8: -7.053 kcal/mol
  • Pose 9: -7.051 kcal/mol
CHEMBL37655_dpp4
Energy Plot
RMSD Scatter Plot