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

Docking Result

CHEMBL1929396_dpp4

Atoms: 270
Models: 9
Best Energy: -8.251 kcal/mol

Binding Energies:
  • Pose 1: -8.251 kcal/mol
  • Pose 2: -7.519 kcal/mol
  • Pose 3: -7.408 kcal/mol
  • Pose 4: -7.404 kcal/mol
  • Pose 5: -7.301 kcal/mol
  • Pose 6: -7.265 kcal/mol
  • Pose 7: -7.229 kcal/mol
  • Pose 8: -7.167 kcal/mol
  • Pose 9: -7.111 kcal/mol
CHEMBL1929396_dpp4
Energy Plot
RMSD Scatter Plot