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

Docking Result

CHEMBL4647761_dpp4

Atoms: 306
Models: 9
Best Energy: -8.307 kcal/mol

Binding Energies:
  • Pose 1: -8.307 kcal/mol
  • Pose 2: -8.198 kcal/mol
  • Pose 3: -8.197 kcal/mol
  • Pose 4: -8.095 kcal/mol
  • Pose 5: -8.086 kcal/mol
  • Pose 6: -8.049 kcal/mol
  • Pose 7: -7.93 kcal/mol
  • Pose 8: -7.819 kcal/mol
  • Pose 9: -7.456 kcal/mol
CHEMBL4647761_dpp4
Energy Plot
RMSD Scatter Plot