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

Docking Result

CHEMBL2425068_dpp4

Atoms: 234
Models: 9
Best Energy: -7.912 kcal/mol

Binding Energies:
  • Pose 1: -7.912 kcal/mol
  • Pose 2: -7.683 kcal/mol
  • Pose 3: -7.533 kcal/mol
  • Pose 4: -7.398 kcal/mol
  • Pose 5: -7.246 kcal/mol
  • Pose 6: -7.123 kcal/mol
  • Pose 7: -7.012 kcal/mol
  • Pose 8: -6.991 kcal/mol
  • Pose 9: -6.944 kcal/mol
CHEMBL2425068_dpp4
Energy Plot
RMSD Scatter Plot