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

Docking Result

CHEMBL3645496_dpp4

Atoms: 288
Models: 9
Best Energy: -8.147 kcal/mol

Binding Energies:
  • Pose 1: -8.147 kcal/mol
  • Pose 2: -7.848 kcal/mol
  • Pose 3: -7.605 kcal/mol
  • Pose 4: -7.584 kcal/mol
  • Pose 5: -7.545 kcal/mol
  • Pose 6: -7.504 kcal/mol
  • Pose 7: -7.416 kcal/mol
  • Pose 8: -7.346 kcal/mol
  • Pose 9: -7.172 kcal/mol
CHEMBL3645496_dpp4
Energy Plot
RMSD Scatter Plot