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

Docking Result

CHEMBL426335_dpp4

Atoms: 261
Models: 9
Best Energy: -7.819 kcal/mol

Binding Energies:
  • Pose 1: -7.819 kcal/mol
  • Pose 2: -7.622 kcal/mol
  • Pose 3: -7.513 kcal/mol
  • Pose 4: -7.499 kcal/mol
  • Pose 5: -7.484 kcal/mol
  • Pose 6: -7.483 kcal/mol
  • Pose 7: -7.421 kcal/mol
  • Pose 8: -7.311 kcal/mol
  • Pose 9: -7.307 kcal/mol
CHEMBL426335_dpp4
Energy Plot
RMSD Scatter Plot