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

Docking Result

CHEMBL236508_dpp4

Atoms: 297
Models: 9
Best Energy: -9.644 kcal/mol

Binding Energies:
  • Pose 1: -9.644 kcal/mol
  • Pose 2: -9.019 kcal/mol
  • Pose 3: -8.854 kcal/mol
  • Pose 4: -8.816 kcal/mol
  • Pose 5: -8.789 kcal/mol
  • Pose 6: -8.76 kcal/mol
  • Pose 7: -8.739 kcal/mol
  • Pose 8: -8.605 kcal/mol
  • Pose 9: -8.543 kcal/mol
CHEMBL236508_dpp4
Energy Plot
RMSD Scatter Plot