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

Docking Result

CHEMBL35000_dpp4

Atoms: 261
Models: 9
Best Energy: -8.975 kcal/mol

Binding Energies:
  • Pose 1: -8.975 kcal/mol
  • Pose 2: -8.386 kcal/mol
  • Pose 3: -8.358 kcal/mol
  • Pose 4: -8.132 kcal/mol
  • Pose 5: -7.94 kcal/mol
  • Pose 6: -7.782 kcal/mol
  • Pose 7: -7.705 kcal/mol
  • Pose 8: -7.668 kcal/mol
  • Pose 9: -7.547 kcal/mol
CHEMBL35000_dpp4
Energy Plot
RMSD Scatter Plot