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

Docking Result

CHEMBL256252_dpp4

Atoms: 207
Models: 9
Best Energy: -7.076 kcal/mol

Binding Energies:
  • Pose 1: -7.076 kcal/mol
  • Pose 2: -6.604 kcal/mol
  • Pose 3: -6.496 kcal/mol
  • Pose 4: -6.422 kcal/mol
  • Pose 5: -6.421 kcal/mol
  • Pose 6: -5.969 kcal/mol
  • Pose 7: -5.932 kcal/mol
  • Pose 8: -5.864 kcal/mol
  • Pose 9: -5.705 kcal/mol
CHEMBL256252_dpp4
Energy Plot
RMSD Scatter Plot