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

Docking Result

CHEMBL237658_dpp4

Atoms: 306
Models: 9
Best Energy: -7.984 kcal/mol

Binding Energies:
  • Pose 1: -7.984 kcal/mol
  • Pose 2: -7.874 kcal/mol
  • Pose 3: -7.861 kcal/mol
  • Pose 4: -7.84 kcal/mol
  • Pose 5: -7.827 kcal/mol
  • Pose 6: -7.597 kcal/mol
  • Pose 7: -7.539 kcal/mol
  • Pose 8: -7.497 kcal/mol
  • Pose 9: -7.463 kcal/mol
CHEMBL237658_dpp4
Energy Plot
RMSD Scatter Plot