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

Docking Result

CHEMBL250611_dpp4

Atoms: 243
Models: 9
Best Energy: -7.781 kcal/mol

Binding Energies:
  • Pose 1: -7.781 kcal/mol
  • Pose 2: -7.688 kcal/mol
  • Pose 3: -7.659 kcal/mol
  • Pose 4: -7.65 kcal/mol
  • Pose 5: -7.616 kcal/mol
  • Pose 6: -7.6 kcal/mol
  • Pose 7: -7.555 kcal/mol
  • Pose 8: -7.495 kcal/mol
  • Pose 9: -7.392 kcal/mol
CHEMBL250611_dpp4
Energy Plot
RMSD Scatter Plot