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

Docking Result

CHEMBL372391_dpp4

Atoms: 252
Models: 9
Best Energy: -6.642 kcal/mol

Binding Energies:
  • Pose 1: -6.642 kcal/mol
  • Pose 2: -6.496 kcal/mol
  • Pose 3: -6.413 kcal/mol
  • Pose 4: -6.394 kcal/mol
  • Pose 5: -6.393 kcal/mol
  • Pose 6: -6.378 kcal/mol
  • Pose 7: -6.269 kcal/mol
  • Pose 8: -6.257 kcal/mol
  • Pose 9: -6.097 kcal/mol
CHEMBL372391_dpp4
Energy Plot
RMSD Scatter Plot