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

Docking Result

CHEMBL1682979_dpp4

Atoms: 297
Models: 9
Best Energy: -8.741 kcal/mol

Binding Energies:
  • Pose 1: -8.741 kcal/mol
  • Pose 2: -8.525 kcal/mol
  • Pose 3: -8.466 kcal/mol
  • Pose 4: -8.24 kcal/mol
  • Pose 5: -8.038 kcal/mol
  • Pose 6: -7.937 kcal/mol
  • Pose 7: -7.884 kcal/mol
  • Pose 8: -7.824 kcal/mol
  • Pose 9: -7.676 kcal/mol
CHEMBL1682979_dpp4
Energy Plot
RMSD Scatter Plot