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

Docking Result

CHEMBL469730_dpp4

Atoms: 315
Models: 9
Best Energy: -8.449 kcal/mol

Binding Energies:
  • Pose 1: -8.449 kcal/mol
  • Pose 2: -8.364 kcal/mol
  • Pose 3: -8.298 kcal/mol
  • Pose 4: -8.247 kcal/mol
  • Pose 5: -8.246 kcal/mol
  • Pose 6: -8.151 kcal/mol
  • Pose 7: -7.985 kcal/mol
  • Pose 8: -7.956 kcal/mol
  • Pose 9: -7.934 kcal/mol
CHEMBL469730_dpp4
Energy Plot
RMSD Scatter Plot