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

Docking Result

CHEMBL3084948_dpp4

Atoms: 279
Models: 9
Best Energy: -7.607 kcal/mol

Binding Energies:
  • Pose 1: -7.607 kcal/mol
  • Pose 2: -7.49 kcal/mol
  • Pose 3: -7.485 kcal/mol
  • Pose 4: -7.462 kcal/mol
  • Pose 5: -7.218 kcal/mol
  • Pose 6: -7.126 kcal/mol
  • Pose 7: -7.111 kcal/mol
  • Pose 8: -7.095 kcal/mol
  • Pose 9: -7.014 kcal/mol
CHEMBL3084948_dpp4
Energy Plot
RMSD Scatter Plot