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

Docking Result

CHEMBL146437_dpp4

Atoms: 135
Models: 9
Best Energy: -4.926 kcal/mol

Binding Energies:
  • Pose 1: -4.926 kcal/mol
  • Pose 2: -4.922 kcal/mol
  • Pose 3: -4.809 kcal/mol
  • Pose 4: -4.733 kcal/mol
  • Pose 5: -4.71 kcal/mol
  • Pose 6: -4.632 kcal/mol
  • Pose 7: -4.518 kcal/mol
  • Pose 8: -4.48 kcal/mol
  • Pose 9: -4.454 kcal/mol
CHEMBL146437_dpp4
Energy Plot
RMSD Scatter Plot