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

Docking Result

CHEMBL5411258_dpp4

Atoms: 252
Models: 9
Best Energy: -7.622 kcal/mol

Binding Energies:
  • Pose 1: -7.622 kcal/mol
  • Pose 2: -7.555 kcal/mol
  • Pose 3: -7.473 kcal/mol
  • Pose 4: -7.401 kcal/mol
  • Pose 5: -7.288 kcal/mol
  • Pose 6: -7.247 kcal/mol
  • Pose 7: -7.034 kcal/mol
  • Pose 8: -7.025 kcal/mol
  • Pose 9: -6.971 kcal/mol
CHEMBL5411258_dpp4
Energy Plot
RMSD Scatter Plot