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

Docking Result

CHEMBL4753316_dpp4

Atoms: 324
Models: 9
Best Energy: -8.926 kcal/mol

Binding Energies:
  • Pose 1: -8.926 kcal/mol
  • Pose 2: -8.64 kcal/mol
  • Pose 3: -8.455 kcal/mol
  • Pose 4: -8.451 kcal/mol
  • Pose 5: -8.437 kcal/mol
  • Pose 6: -8.407 kcal/mol
  • Pose 7: -8.386 kcal/mol
  • Pose 8: -8.373 kcal/mol
  • Pose 9: -8.321 kcal/mol
CHEMBL4753316_dpp4
Energy Plot
RMSD Scatter Plot