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

Docking Result

CHEMBL371585_dpp4

Atoms: 243
Models: 9
Best Energy: -7.195 kcal/mol

Binding Energies:
  • Pose 1: -7.195 kcal/mol
  • Pose 2: -7.026 kcal/mol
  • Pose 3: -6.958 kcal/mol
  • Pose 4: -6.872 kcal/mol
  • Pose 5: -6.78 kcal/mol
  • Pose 6: -6.75 kcal/mol
  • Pose 7: -6.661 kcal/mol
  • Pose 8: -6.612 kcal/mol
  • Pose 9: -6.565 kcal/mol
CHEMBL371585_dpp4
Energy Plot
RMSD Scatter Plot