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

Docking Result

CHEMBL373268_dpp4

Atoms: 297
Models: 9
Best Energy: -9.748 kcal/mol

Binding Energies:
  • Pose 1: -9.748 kcal/mol
  • Pose 2: -9.582 kcal/mol
  • Pose 3: -9.218 kcal/mol
  • Pose 4: -9.209 kcal/mol
  • Pose 5: -8.861 kcal/mol
  • Pose 6: -8.693 kcal/mol
  • Pose 7: -8.673 kcal/mol
  • Pose 8: -8.53 kcal/mol
  • Pose 9: -8.415 kcal/mol
CHEMBL373268_dpp4
Energy Plot
RMSD Scatter Plot