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

Docking Result

CHEMBL234428_dpp4

Atoms: 207
Models: 9
Best Energy: -6.836 kcal/mol

Binding Energies:
  • Pose 1: -6.836 kcal/mol
  • Pose 2: -6.758 kcal/mol
  • Pose 3: -6.684 kcal/mol
  • Pose 4: -6.596 kcal/mol
  • Pose 5: -6.572 kcal/mol
  • Pose 6: -6.343 kcal/mol
  • Pose 7: -6.2 kcal/mol
  • Pose 8: -6.184 kcal/mol
  • Pose 9: -6.172 kcal/mol
CHEMBL234428_dpp4
Energy Plot
RMSD Scatter Plot