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

Docking Result

CHEMBL1951603_dpp4

Atoms: 342
Models: 9
Best Energy: -8.47 kcal/mol

Binding Energies:
  • Pose 1: -8.47 kcal/mol
  • Pose 2: -8.206 kcal/mol
  • Pose 3: -8.06 kcal/mol
  • Pose 4: -7.69 kcal/mol
  • Pose 5: -7.682 kcal/mol
  • Pose 6: -7.672 kcal/mol
  • Pose 7: -7.568 kcal/mol
  • Pose 8: -7.535 kcal/mol
  • Pose 9: -7.401 kcal/mol
CHEMBL1951603_dpp4
Energy Plot
RMSD Scatter Plot