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

Docking Result

CHEMBL3697943_dpp4

Atoms: 315
Models: 9
Best Energy: -8.943 kcal/mol

Binding Energies:
  • Pose 1: -8.943 kcal/mol
  • Pose 2: -8.628 kcal/mol
  • Pose 3: -8.459 kcal/mol
  • Pose 4: -8.412 kcal/mol
  • Pose 5: -8.408 kcal/mol
  • Pose 6: -8.38 kcal/mol
  • Pose 7: -8.377 kcal/mol
  • Pose 8: -8.372 kcal/mol
  • Pose 9: -8.308 kcal/mol
CHEMBL3697943_dpp4
Energy Plot
RMSD Scatter Plot