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

Docking Result

CHEMBL5280469_dpp4

Atoms: 216
Models: 9
Best Energy: -7.457 kcal/mol

Binding Energies:
  • Pose 1: -7.457 kcal/mol
  • Pose 2: -7.372 kcal/mol
  • Pose 3: -7.275 kcal/mol
  • Pose 4: -7.248 kcal/mol
  • Pose 5: -7.225 kcal/mol
  • Pose 6: -7.204 kcal/mol
  • Pose 7: -7.12 kcal/mol
  • Pose 8: -6.988 kcal/mol
  • Pose 9: -6.983 kcal/mol
CHEMBL5280469_dpp4
Energy Plot
RMSD Scatter Plot