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

Docking Result

CHEMBL231697_dpp4

Atoms: 243
Models: 9
Best Energy: -7.056 kcal/mol

Binding Energies:
  • Pose 1: -7.056 kcal/mol
  • Pose 2: -7.025 kcal/mol
  • Pose 3: -6.964 kcal/mol
  • Pose 4: -6.878 kcal/mol
  • Pose 5: -6.729 kcal/mol
  • Pose 6: -6.53 kcal/mol
  • Pose 7: -6.512 kcal/mol
  • Pose 8: -6.362 kcal/mol
  • Pose 9: -6.317 kcal/mol
CHEMBL231697_dpp4
Energy Plot
RMSD Scatter Plot