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

Docking Result

CHEMBL1243093_dpp4

Atoms: 243
Models: 9
Best Energy: -7.511 kcal/mol

Binding Energies:
  • Pose 1: -7.511 kcal/mol
  • Pose 2: -7.441 kcal/mol
  • Pose 3: -7.377 kcal/mol
  • Pose 4: -7.364 kcal/mol
  • Pose 5: -7.235 kcal/mol
  • Pose 6: -7.227 kcal/mol
  • Pose 7: -7.164 kcal/mol
  • Pose 8: -7.052 kcal/mol
  • Pose 9: -7.043 kcal/mol
CHEMBL1243093_dpp4
Energy Plot
RMSD Scatter Plot