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

Docking Result

CHEMBL3329634_dpp4

Atoms: 261
Models: 9
Best Energy: -8.17 kcal/mol

Binding Energies:
  • Pose 1: -8.17 kcal/mol
  • Pose 2: -8.143 kcal/mol
  • Pose 3: -8.061 kcal/mol
  • Pose 4: -7.847 kcal/mol
  • Pose 5: -7.843 kcal/mol
  • Pose 6: -7.58 kcal/mol
  • Pose 7: -7.548 kcal/mol
  • Pose 8: -7.496 kcal/mol
  • Pose 9: -7.492 kcal/mol
CHEMBL3329634_dpp4
Energy Plot
RMSD Scatter Plot