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

Docking Result

CHEMBL96607_dpp4

Atoms: 207
Models: 9
Best Energy: -6.466 kcal/mol

Binding Energies:
  • Pose 1: -6.466 kcal/mol
  • Pose 2: -6.067 kcal/mol
  • Pose 3: -5.724 kcal/mol
  • Pose 4: -5.668 kcal/mol
  • Pose 5: -5.619 kcal/mol
  • Pose 6: -5.415 kcal/mol
  • Pose 7: -5.363 kcal/mol
  • Pose 8: -5.35 kcal/mol
  • Pose 9: -5.349 kcal/mol
CHEMBL96607_dpp4
Energy Plot
RMSD Scatter Plot