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

Docking Result

CHEMBL34603_dpp4

Atoms: 234
Models: 9
Best Energy: -8.568 kcal/mol

Binding Energies:
  • Pose 1: -8.568 kcal/mol
  • Pose 2: -8.141 kcal/mol
  • Pose 3: -7.84 kcal/mol
  • Pose 4: -7.519 kcal/mol
  • Pose 5: -7.466 kcal/mol
  • Pose 6: -7.336 kcal/mol
  • Pose 7: -7.207 kcal/mol
  • Pose 8: -7.185 kcal/mol
  • Pose 9: -6.998 kcal/mol
CHEMBL34603_dpp4
Energy Plot
RMSD Scatter Plot