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

Docking Result

CHEMBL250351_dpp4

Atoms: 324
Models: 9
Best Energy: -7.803 kcal/mol

Binding Energies:
  • Pose 1: -7.803 kcal/mol
  • Pose 2: -7.733 kcal/mol
  • Pose 3: -7.566 kcal/mol
  • Pose 4: -7.539 kcal/mol
  • Pose 5: -7.491 kcal/mol
  • Pose 6: -7.365 kcal/mol
  • Pose 7: -7.358 kcal/mol
  • Pose 8: -7.244 kcal/mol
  • Pose 9: -7.237 kcal/mol
CHEMBL250351_dpp4
Energy Plot
RMSD Scatter Plot