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

Docking Result

CHEMBL179248_dpp4

Atoms: 162
Models: 9
Best Energy: -6.903 kcal/mol

Binding Energies:
  • Pose 1: -6.903 kcal/mol
  • Pose 2: -6.804 kcal/mol
  • Pose 3: -6.699 kcal/mol
  • Pose 4: -6.668 kcal/mol
  • Pose 5: -6.365 kcal/mol
  • Pose 6: -6.327 kcal/mol
  • Pose 7: -6.309 kcal/mol
  • Pose 8: -6.198 kcal/mol
  • Pose 9: -6.105 kcal/mol
CHEMBL179248_dpp4
Energy Plot
RMSD Scatter Plot