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

Docking Result

CHEMBL5269848_dpp4

Atoms: 234
Models: 9
Best Energy: -8.105 kcal/mol

Binding Energies:
  • Pose 1: -8.105 kcal/mol
  • Pose 2: -8.031 kcal/mol
  • Pose 3: -7.845 kcal/mol
  • Pose 4: -7.741 kcal/mol
  • Pose 5: -7.737 kcal/mol
  • Pose 6: -7.553 kcal/mol
  • Pose 7: -7.548 kcal/mol
  • Pose 8: -7.53 kcal/mol
  • Pose 9: -7.394 kcal/mol
CHEMBL5269848_dpp4
Energy Plot
RMSD Scatter Plot