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

Docking Result

CHEMBL3236123_dpp4

Atoms: 279
Models: 9
Best Energy: -7.907 kcal/mol

Binding Energies:
  • Pose 1: -7.907 kcal/mol
  • Pose 2: -7.737 kcal/mol
  • Pose 3: -7.709 kcal/mol
  • Pose 4: -7.564 kcal/mol
  • Pose 5: -7.459 kcal/mol
  • Pose 6: -7.412 kcal/mol
  • Pose 7: -7.318 kcal/mol
  • Pose 8: -7.212 kcal/mol
  • Pose 9: -7.175 kcal/mol
CHEMBL3236123_dpp4
Energy Plot
RMSD Scatter Plot