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

Docking Result

CHEMBL1951439_dpp4

Atoms: 342
Models: 9
Best Energy: -6.611 kcal/mol

Binding Energies:
  • Pose 1: -6.611 kcal/mol
  • Pose 2: -6.59 kcal/mol
  • Pose 3: -6.575 kcal/mol
  • Pose 4: -6.466 kcal/mol
  • Pose 5: -6.398 kcal/mol
  • Pose 6: -6.207 kcal/mol
  • Pose 7: -6.205 kcal/mol
  • Pose 8: -6.161 kcal/mol
  • Pose 9: -6.02 kcal/mol
CHEMBL1951439_dpp4
Energy Plot
RMSD Scatter Plot