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

Docking Result

CHEMBL1650419_dpp4

Atoms: 279
Models: 9
Best Energy: -7.663 kcal/mol

Binding Energies:
  • Pose 1: -7.663 kcal/mol
  • Pose 2: -7.544 kcal/mol
  • Pose 3: -7.311 kcal/mol
  • Pose 4: -7.287 kcal/mol
  • Pose 5: -7.279 kcal/mol
  • Pose 6: -7.007 kcal/mol
  • Pose 7: -6.985 kcal/mol
  • Pose 8: -6.883 kcal/mol
  • Pose 9: -6.681 kcal/mol
CHEMBL1650419_dpp4
Energy Plot
RMSD Scatter Plot