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

Docking Result

CHEMBL4765147_dpp4

Atoms: 234
Models: 9
Best Energy: -8.211 kcal/mol

Binding Energies:
  • Pose 1: -8.211 kcal/mol
  • Pose 2: -8.035 kcal/mol
  • Pose 3: -7.903 kcal/mol
  • Pose 4: -7.702 kcal/mol
  • Pose 5: -7.568 kcal/mol
  • Pose 6: -7.402 kcal/mol
  • Pose 7: -7.329 kcal/mol
  • Pose 8: -7.258 kcal/mol
  • Pose 9: -7.186 kcal/mol
CHEMBL4765147_dpp4
Energy Plot
RMSD Scatter Plot