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

Docking Result

CHEMBL241252_dpp4

Atoms: 261
Models: 9
Best Energy: -7.856 kcal/mol

Binding Energies:
  • Pose 1: -7.856 kcal/mol
  • Pose 2: -7.559 kcal/mol
  • Pose 3: -7.508 kcal/mol
  • Pose 4: -7.471 kcal/mol
  • Pose 5: -7.273 kcal/mol
  • Pose 6: -7.098 kcal/mol
  • Pose 7: -7.013 kcal/mol
  • Pose 8: -7.006 kcal/mol
  • Pose 9: -6.927 kcal/mol
CHEMBL241252_dpp4
Energy Plot
RMSD Scatter Plot