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

Docking Result

CHEMBL1779699_dpp4

Atoms: 297
Models: 9
Best Energy: -8.334 kcal/mol

Binding Energies:
  • Pose 1: -8.334 kcal/mol
  • Pose 2: -8.305 kcal/mol
  • Pose 3: -8.091 kcal/mol
  • Pose 4: -7.79 kcal/mol
  • Pose 5: -7.653 kcal/mol
  • Pose 6: -7.541 kcal/mol
  • Pose 7: -7.522 kcal/mol
  • Pose 8: -7.495 kcal/mol
  • Pose 9: -7.488 kcal/mol
CHEMBL1779699_dpp4
Energy Plot
RMSD Scatter Plot