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

Docking Result

CHEMBL1683560_dpp4

Atoms: 261
Models: 9
Best Energy: -8.761 kcal/mol

Binding Energies:
  • Pose 1: -8.761 kcal/mol
  • Pose 2: -8.717 kcal/mol
  • Pose 3: -8.546 kcal/mol
  • Pose 4: -8.491 kcal/mol
  • Pose 5: -8.413 kcal/mol
  • Pose 6: -8.396 kcal/mol
  • Pose 7: -8.233 kcal/mol
  • Pose 8: -8.144 kcal/mol
  • Pose 9: -8.126 kcal/mol
CHEMBL1683560_dpp4
Energy Plot
RMSD Scatter Plot