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

Docking Result

CHEMBL3084821_dpp4

Atoms: 234
Models: 9
Best Energy: -7.74 kcal/mol

Binding Energies:
  • Pose 1: -7.74 kcal/mol
  • Pose 2: -7.637 kcal/mol
  • Pose 3: -7.529 kcal/mol
  • Pose 4: -7.409 kcal/mol
  • Pose 5: -7.302 kcal/mol
  • Pose 6: -7.28 kcal/mol
  • Pose 7: -7.278 kcal/mol
  • Pose 8: -7.25 kcal/mol
  • Pose 9: -7.135 kcal/mol
CHEMBL3084821_dpp4
Energy Plot
RMSD Scatter Plot