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

Docking Result

CHEMBL1229644_dpp4

Atoms: 261
Models: 9
Best Energy: -7.078 kcal/mol

Binding Energies:
  • Pose 1: -7.078 kcal/mol
  • Pose 2: -7.071 kcal/mol
  • Pose 3: -7.043 kcal/mol
  • Pose 4: -6.907 kcal/mol
  • Pose 5: -6.768 kcal/mol
  • Pose 6: -6.673 kcal/mol
  • Pose 7: -6.605 kcal/mol
  • Pose 8: -6.59 kcal/mol
  • Pose 9: -6.504 kcal/mol
CHEMBL1229644_dpp4
Energy Plot
RMSD Scatter Plot