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

Docking Result

CHEMBL234373_dpp4

Atoms: 189
Models: 9
Best Energy: -7.628 kcal/mol

Binding Energies:
  • Pose 1: -7.628 kcal/mol
  • Pose 2: -7.283 kcal/mol
  • Pose 3: -7.167 kcal/mol
  • Pose 4: -6.986 kcal/mol
  • Pose 5: -6.953 kcal/mol
  • Pose 6: -6.929 kcal/mol
  • Pose 7: -6.78 kcal/mol
  • Pose 8: -6.562 kcal/mol
  • Pose 9: -6.551 kcal/mol
CHEMBL234373_dpp4
Energy Plot
RMSD Scatter Plot