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

Docking Result

CHEMBL469545_dpp4

Atoms: 153
Models: 9
Best Energy: -6.899 kcal/mol

Binding Energies:
  • Pose 1: -6.899 kcal/mol
  • Pose 2: -6.774 kcal/mol
  • Pose 3: -6.688 kcal/mol
  • Pose 4: -6.525 kcal/mol
  • Pose 5: -6.389 kcal/mol
  • Pose 6: -6.248 kcal/mol
  • Pose 7: -6.217 kcal/mol
  • Pose 8: -6.176 kcal/mol
  • Pose 9: -5.982 kcal/mol
CHEMBL469545_dpp4
Energy Plot
RMSD Scatter Plot