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

Docking Result

CHEMBL1779702_dpp4

Atoms: 288
Models: 9
Best Energy: -8.331 kcal/mol

Binding Energies:
  • Pose 1: -8.331 kcal/mol
  • Pose 2: -8.309 kcal/mol
  • Pose 3: -8.239 kcal/mol
  • Pose 4: -8.167 kcal/mol
  • Pose 5: -8.034 kcal/mol
  • Pose 6: -7.908 kcal/mol
  • Pose 7: -7.87 kcal/mol
  • Pose 8: -7.817 kcal/mol
  • Pose 9: -7.536 kcal/mol
CHEMBL1779702_dpp4
Energy Plot
RMSD Scatter Plot