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

Docking Result

CHEMBL250285_dpp4

Atoms: 351
Models: 9
Best Energy: -10.36 kcal/mol

Binding Energies:
  • Pose 1: -10.36 kcal/mol
  • Pose 2: -10.328 kcal/mol
  • Pose 3: -9.957 kcal/mol
  • Pose 4: -9.668 kcal/mol
  • Pose 5: -9.633 kcal/mol
  • Pose 6: -9.404 kcal/mol
  • Pose 7: -9.353 kcal/mol
  • Pose 8: -9.337 kcal/mol
  • Pose 9: -9.075 kcal/mol
CHEMBL250285_dpp4
Energy Plot
RMSD Scatter Plot