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

Docking Result

CHEMBL4530011_dpp4

Atoms: 297
Models: 9
Best Energy: -8.136 kcal/mol

Binding Energies:
  • Pose 1: -8.136 kcal/mol
  • Pose 2: -8.049 kcal/mol
  • Pose 3: -7.722 kcal/mol
  • Pose 4: -7.606 kcal/mol
  • Pose 5: -7.448 kcal/mol
  • Pose 6: -7.419 kcal/mol
  • Pose 7: -7.404 kcal/mol
  • Pose 8: -7.221 kcal/mol
  • Pose 9: -7.221 kcal/mol
CHEMBL4530011_dpp4
Energy Plot
RMSD Scatter Plot