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

Docking Result

CHEMBL443373_dpp4

Atoms: 153
Models: 9
Best Energy: -5.48 kcal/mol

Binding Energies:
  • Pose 1: -5.48 kcal/mol
  • Pose 2: -5.476 kcal/mol
  • Pose 3: -5.22 kcal/mol
  • Pose 4: -5.187 kcal/mol
  • Pose 5: -5.127 kcal/mol
  • Pose 6: -5.127 kcal/mol
  • Pose 7: -5.121 kcal/mol
  • Pose 8: -5.065 kcal/mol
  • Pose 9: -4.986 kcal/mol
CHEMBL443373_dpp4
Energy Plot
RMSD Scatter Plot