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

Docking Result

CHEMBL6061339_dpp4

Atoms: 306
Models: 9
Best Energy: -9.747 kcal/mol

Binding Energies:
  • Pose 1: -9.747 kcal/mol
  • Pose 2: -9.608 kcal/mol
  • Pose 3: -9.383 kcal/mol
  • Pose 4: -8.786 kcal/mol
  • Pose 5: -8.757 kcal/mol
  • Pose 6: -8.714 kcal/mol
  • Pose 7: -8.691 kcal/mol
  • Pose 8: -8.434 kcal/mol
  • Pose 9: -8.418 kcal/mol
CHEMBL6061339_dpp4
Energy Plot
RMSD Scatter Plot