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

Docking Result

CHEMBL2408644_dpp4

Atoms: 297
Models: 9
Best Energy: -8.656 kcal/mol

Binding Energies:
  • Pose 1: -8.656 kcal/mol
  • Pose 2: -8.376 kcal/mol
  • Pose 3: -8.149 kcal/mol
  • Pose 4: -7.879 kcal/mol
  • Pose 5: -7.878 kcal/mol
  • Pose 6: -7.841 kcal/mol
  • Pose 7: -7.67 kcal/mol
  • Pose 8: -7.52 kcal/mol
  • Pose 9: -7.474 kcal/mol
CHEMBL2408644_dpp4
Energy Plot
RMSD Scatter Plot