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

Docking Result

CHEMBL459641_dpp4

Atoms: 126
Models: 9
Best Energy: -5.224 kcal/mol

Binding Energies:
  • Pose 1: -5.224 kcal/mol
  • Pose 2: -4.996 kcal/mol
  • Pose 3: -4.97 kcal/mol
  • Pose 4: -4.737 kcal/mol
  • Pose 5: -4.632 kcal/mol
  • Pose 6: -4.588 kcal/mol
  • Pose 7: -4.579 kcal/mol
  • Pose 8: -4.578 kcal/mol
  • Pose 9: -4.475 kcal/mol
CHEMBL459641_dpp4
Energy Plot
RMSD Scatter Plot