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

Docking Result

CHEMBL4161474_dpp4

Atoms: 288
Models: 9
Best Energy: -7.982 kcal/mol

Binding Energies:
  • Pose 1: -7.982 kcal/mol
  • Pose 2: -7.734 kcal/mol
  • Pose 3: -7.655 kcal/mol
  • Pose 4: -7.561 kcal/mol
  • Pose 5: -7.553 kcal/mol
  • Pose 6: -7.504 kcal/mol
  • Pose 7: -7.417 kcal/mol
  • Pose 8: -7.387 kcal/mol
  • Pose 9: -7.075 kcal/mol
CHEMBL4161474_dpp4
Energy Plot
RMSD Scatter Plot