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

Docking Result

CHEMBL23979_dpp4

Atoms: 297
Models: 9
Best Energy: -7.881 kcal/mol

Binding Energies:
  • Pose 1: -7.881 kcal/mol
  • Pose 2: -7.804 kcal/mol
  • Pose 3: -7.774 kcal/mol
  • Pose 4: -7.715 kcal/mol
  • Pose 5: -7.666 kcal/mol
  • Pose 6: -7.656 kcal/mol
  • Pose 7: -7.556 kcal/mol
  • Pose 8: -7.442 kcal/mol
  • Pose 9: -7.342 kcal/mol
CHEMBL23979_dpp4
Energy Plot
RMSD Scatter Plot