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

Docking Result

CHEMBL4794801_dpp4

Atoms: 243
Models: 9
Best Energy: -8.049 kcal/mol

Binding Energies:
  • Pose 1: -8.049 kcal/mol
  • Pose 2: -8 kcal/mol
  • Pose 3: -7.858 kcal/mol
  • Pose 4: -7.803 kcal/mol
  • Pose 5: -7.791 kcal/mol
  • Pose 6: -7.522 kcal/mol
  • Pose 7: -7.384 kcal/mol
  • Pose 8: -7.365 kcal/mol
  • Pose 9: -7.356 kcal/mol
CHEMBL4794801_dpp4
Energy Plot
RMSD Scatter Plot