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

Docking Result

CHEMBL3654429_dpp4

Atoms: 342
Models: 9
Best Energy: -6.859 kcal/mol

Binding Energies:
  • Pose 1: -6.859 kcal/mol
  • Pose 2: -6.683 kcal/mol
  • Pose 3: -6.635 kcal/mol
  • Pose 4: -6.619 kcal/mol
  • Pose 5: -6.539 kcal/mol
  • Pose 6: -6.479 kcal/mol
  • Pose 7: -6.374 kcal/mol
  • Pose 8: -6.257 kcal/mol
  • Pose 9: -6.139 kcal/mol
CHEMBL3654429_dpp4
Energy Plot
RMSD Scatter Plot