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

Docking Result

CHEMBL3735843_dpp4

Atoms: 315
Models: 9
Best Energy: -9.189 kcal/mol

Binding Energies:
  • Pose 1: -9.189 kcal/mol
  • Pose 2: -8.754 kcal/mol
  • Pose 3: -8.704 kcal/mol
  • Pose 4: -8.549 kcal/mol
  • Pose 5: -8.496 kcal/mol
  • Pose 6: -8.493 kcal/mol
  • Pose 7: -8.344 kcal/mol
  • Pose 8: -8.28 kcal/mol
  • Pose 9: -8.273 kcal/mol
CHEMBL3735843_dpp4
Energy Plot
RMSD Scatter Plot