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

Docking Result

CHEMBL3343901_dpp4

Atoms: 261
Models: 9
Best Energy: -7.135 kcal/mol

Binding Energies:
  • Pose 1: -7.135 kcal/mol
  • Pose 2: -6.793 kcal/mol
  • Pose 3: -6.563 kcal/mol
  • Pose 4: -6.561 kcal/mol
  • Pose 5: -6.511 kcal/mol
  • Pose 6: -6.501 kcal/mol
  • Pose 7: -6.483 kcal/mol
  • Pose 8: -6.434 kcal/mol
  • Pose 9: -6.293 kcal/mol
CHEMBL3343901_dpp4
Energy Plot
RMSD Scatter Plot