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

Docking Result

CHEMBL4798418_dpp4

Atoms: 234
Models: 9
Best Energy: -8.288 kcal/mol

Binding Energies:
  • Pose 1: -8.288 kcal/mol
  • Pose 2: -8.258 kcal/mol
  • Pose 3: -8.215 kcal/mol
  • Pose 4: -7.896 kcal/mol
  • Pose 5: -7.696 kcal/mol
  • Pose 6: -7.58 kcal/mol
  • Pose 7: -7.341 kcal/mol
  • Pose 8: -7.336 kcal/mol
  • Pose 9: -7.31 kcal/mol
CHEMBL4798418_dpp4
Energy Plot
RMSD Scatter Plot