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

Docking Result

CHEMBL6164012_dpp4

Atoms: 288
Models: 9
Best Energy: -8.201 kcal/mol

Binding Energies:
  • Pose 1: -8.201 kcal/mol
  • Pose 2: -7.361 kcal/mol
  • Pose 3: -7.339 kcal/mol
  • Pose 4: -7.285 kcal/mol
  • Pose 5: -7.199 kcal/mol
  • Pose 6: -7.113 kcal/mol
  • Pose 7: -7.06 kcal/mol
  • Pose 8: -7.056 kcal/mol
  • Pose 9: -5.983 kcal/mol
CHEMBL6164012_dpp4
Energy Plot
RMSD Scatter Plot