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

Docking Result

CHEMBL236934_dpp4

Atoms: 324
Models: 9
Best Energy: -8.645 kcal/mol

Binding Energies:
  • Pose 1: -8.645 kcal/mol
  • Pose 2: -8.398 kcal/mol
  • Pose 3: -8.276 kcal/mol
  • Pose 4: -8.01 kcal/mol
  • Pose 5: -7.867 kcal/mol
  • Pose 6: -7.83 kcal/mol
  • Pose 7: -7.8 kcal/mol
  • Pose 8: -7.661 kcal/mol
  • Pose 9: -7.591 kcal/mol
CHEMBL236934_dpp4
Energy Plot
RMSD Scatter Plot