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

Docking Result

CHEMBL242813_dpp4

Atoms: 261
Models: 9
Best Energy: -7.729 kcal/mol

Binding Energies:
  • Pose 1: -7.729 kcal/mol
  • Pose 2: -7.705 kcal/mol
  • Pose 3: -7.704 kcal/mol
  • Pose 4: -7.678 kcal/mol
  • Pose 5: -7.622 kcal/mol
  • Pose 6: -7.569 kcal/mol
  • Pose 7: -7.525 kcal/mol
  • Pose 8: -7.485 kcal/mol
  • Pose 9: -7.43 kcal/mol
CHEMBL242813_dpp4
Energy Plot
RMSD Scatter Plot