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

Docking Result

CHEMBL399402_dpp4

Atoms: 315
Models: 9
Best Energy: -8.142 kcal/mol

Binding Energies:
  • Pose 1: -8.142 kcal/mol
  • Pose 2: -8.093 kcal/mol
  • Pose 3: -8.049 kcal/mol
  • Pose 4: -7.842 kcal/mol
  • Pose 5: -7.729 kcal/mol
  • Pose 6: -7.533 kcal/mol
  • Pose 7: -7.476 kcal/mol
  • Pose 8: -7.419 kcal/mol
  • Pose 9: -7.376 kcal/mol
CHEMBL399402_dpp4
Energy Plot
RMSD Scatter Plot