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

Docking Result

CHEMBL1909975_dpp4

Atoms: 261
Models: 9
Best Energy: -8.19 kcal/mol

Binding Energies:
  • Pose 1: -8.19 kcal/mol
  • Pose 2: -7.877 kcal/mol
  • Pose 3: -7.607 kcal/mol
  • Pose 4: -7.516 kcal/mol
  • Pose 5: -7.469 kcal/mol
  • Pose 6: -7.453 kcal/mol
  • Pose 7: -7.45 kcal/mol
  • Pose 8: -7.259 kcal/mol
  • Pose 9: -7.241 kcal/mol
CHEMBL1909975_dpp4
Energy Plot
RMSD Scatter Plot