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

Docking Result

CHEMBL567728_dpp4

Atoms: 279
Models: 9
Best Energy: -8.268 kcal/mol

Binding Energies:
  • Pose 1: -8.268 kcal/mol
  • Pose 2: -8.052 kcal/mol
  • Pose 3: -8.016 kcal/mol
  • Pose 4: -7.97 kcal/mol
  • Pose 5: -7.929 kcal/mol
  • Pose 6: -7.604 kcal/mol
  • Pose 7: -7.54 kcal/mol
  • Pose 8: -7.442 kcal/mol
  • Pose 9: -7.407 kcal/mol
CHEMBL567728_dpp4
Energy Plot
RMSD Scatter Plot