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

Docking Result

CHEMBL479381_dpp4

Atoms: 252
Models: 9
Best Energy: -7.89 kcal/mol

Binding Energies:
  • Pose 1: -7.89 kcal/mol
  • Pose 2: -7.65 kcal/mol
  • Pose 3: -7.546 kcal/mol
  • Pose 4: -7.542 kcal/mol
  • Pose 5: -7.51 kcal/mol
  • Pose 6: -7.5 kcal/mol
  • Pose 7: -7.489 kcal/mol
  • Pose 8: -7.34 kcal/mol
  • Pose 9: -7.332 kcal/mol
CHEMBL479381_dpp4
Energy Plot
RMSD Scatter Plot