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

Docking Result

CHEMBL250006_dpp4

Atoms: 279
Models: 9
Best Energy: -8.068 kcal/mol

Binding Energies:
  • Pose 1: -8.068 kcal/mol
  • Pose 2: -7.744 kcal/mol
  • Pose 3: -7.337 kcal/mol
  • Pose 4: -7.294 kcal/mol
  • Pose 5: -7.284 kcal/mol
  • Pose 6: -7.243 kcal/mol
  • Pose 7: -7.167 kcal/mol
  • Pose 8: -7.063 kcal/mol
  • Pose 9: -6.974 kcal/mol
CHEMBL250006_dpp4
Energy Plot
RMSD Scatter Plot