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

Docking Result

CHEMBL1688519_dpp4

Atoms: 225
Models: 9
Best Energy: -7.998 kcal/mol

Binding Energies:
  • Pose 1: -7.998 kcal/mol
  • Pose 2: -7.612 kcal/mol
  • Pose 3: -7.499 kcal/mol
  • Pose 4: -7.412 kcal/mol
  • Pose 5: -7.24 kcal/mol
  • Pose 6: -7.087 kcal/mol
  • Pose 7: -7.057 kcal/mol
  • Pose 8: -6.895 kcal/mol
  • Pose 9: -6.708 kcal/mol
CHEMBL1688519_dpp4
Energy Plot
RMSD Scatter Plot