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

Docking Result

CHEMBL4798053_dpp4

Atoms: 270
Models: 9
Best Energy: -8.283 kcal/mol

Binding Energies:
  • Pose 1: -8.283 kcal/mol
  • Pose 2: -7.893 kcal/mol
  • Pose 3: -7.887 kcal/mol
  • Pose 4: -7.774 kcal/mol
  • Pose 5: -7.753 kcal/mol
  • Pose 6: -7.728 kcal/mol
  • Pose 7: -7.427 kcal/mol
  • Pose 8: -7.374 kcal/mol
  • Pose 9: -7.323 kcal/mol
CHEMBL4798053_dpp4
Energy Plot
RMSD Scatter Plot