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

Docking Result

CHEMBL2159184_dpp4

Atoms: 261
Models: 9
Best Energy: -7.778 kcal/mol

Binding Energies:
  • Pose 1: -7.778 kcal/mol
  • Pose 2: -7.536 kcal/mol
  • Pose 3: -7.394 kcal/mol
  • Pose 4: -7.187 kcal/mol
  • Pose 5: -7.122 kcal/mol
  • Pose 6: -7.088 kcal/mol
  • Pose 7: -7.025 kcal/mol
  • Pose 8: -6.872 kcal/mol
  • Pose 9: -6.839 kcal/mol
CHEMBL2159184_dpp4
Energy Plot
RMSD Scatter Plot