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

Docking Result

CHEMBL66879_dpp4

Atoms: 126
Models: 9
Best Energy: -6.107 kcal/mol

Binding Energies:
  • Pose 1: -6.107 kcal/mol
  • Pose 2: -5.668 kcal/mol
  • Pose 3: -5.391 kcal/mol
  • Pose 4: -5.353 kcal/mol
  • Pose 5: -5.336 kcal/mol
  • Pose 6: -5.333 kcal/mol
  • Pose 7: -5.32 kcal/mol
  • Pose 8: -5.297 kcal/mol
  • Pose 9: -5.259 kcal/mol
CHEMBL66879_dpp4
Energy Plot
RMSD Scatter Plot