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

Docking Result

CHEMBL4855449_dpp4

Atoms: 297
Models: 9
Best Energy: -7.802 kcal/mol

Binding Energies:
  • Pose 1: -7.802 kcal/mol
  • Pose 2: -7.751 kcal/mol
  • Pose 3: -7.734 kcal/mol
  • Pose 4: -7.727 kcal/mol
  • Pose 5: -7.71 kcal/mol
  • Pose 6: -7.702 kcal/mol
  • Pose 7: -7.368 kcal/mol
  • Pose 8: -7.36 kcal/mol
  • Pose 9: -7.329 kcal/mol
CHEMBL4855449_dpp4
Energy Plot
RMSD Scatter Plot