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

Docking Result

CHEMBL3357776_dpp4

Atoms: 306
Models: 9
Best Energy: -8.843 kcal/mol

Binding Energies:
  • Pose 1: -8.843 kcal/mol
  • Pose 2: -8.495 kcal/mol
  • Pose 3: -8.31 kcal/mol
  • Pose 4: -8.091 kcal/mol
  • Pose 5: -8.065 kcal/mol
  • Pose 6: -8.051 kcal/mol
  • Pose 7: -7.99 kcal/mol
  • Pose 8: -7.839 kcal/mol
  • Pose 9: -7.758 kcal/mol
CHEMBL3357776_dpp4
Energy Plot
RMSD Scatter Plot