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

Docking Result

CHEMBL470330_dpp4

Atoms: 144
Models: 9
Best Energy: -5.686 kcal/mol

Binding Energies:
  • Pose 1: -5.686 kcal/mol
  • Pose 2: -5.536 kcal/mol
  • Pose 3: -5.512 kcal/mol
  • Pose 4: -5.412 kcal/mol
  • Pose 5: -5.384 kcal/mol
  • Pose 6: -5.374 kcal/mol
  • Pose 7: -5.368 kcal/mol
  • Pose 8: -5.331 kcal/mol
  • Pose 9: -5.266 kcal/mol
CHEMBL470330_dpp4
Energy Plot
RMSD Scatter Plot