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

Docking Result

CHEMBL4443070_dpp4

Atoms: 333
Models: 9
Best Energy: -8.627 kcal/mol

Binding Energies:
  • Pose 1: -8.627 kcal/mol
  • Pose 2: -8.619 kcal/mol
  • Pose 3: -8.442 kcal/mol
  • Pose 4: -8.421 kcal/mol
  • Pose 5: -8.389 kcal/mol
  • Pose 6: -8.29 kcal/mol
  • Pose 7: -8.259 kcal/mol
  • Pose 8: -8.218 kcal/mol
  • Pose 9: -8.035 kcal/mol
CHEMBL4443070_dpp4
Energy Plot
RMSD Scatter Plot