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

Docking Result

CHEMBL3616901_dpp4

Atoms: 324
Models: 9
Best Energy: -8.717 kcal/mol

Binding Energies:
  • Pose 1: -8.717 kcal/mol
  • Pose 2: -8.658 kcal/mol
  • Pose 3: -8.469 kcal/mol
  • Pose 4: -8.447 kcal/mol
  • Pose 5: -8.42 kcal/mol
  • Pose 6: -8.385 kcal/mol
  • Pose 7: -8.223 kcal/mol
  • Pose 8: -8.221 kcal/mol
  • Pose 9: -8.155 kcal/mol
CHEMBL3616901_dpp4
Energy Plot
RMSD Scatter Plot