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

Docking Result

CHEMBL1779710_dpp4

Atoms: 279
Models: 9
Best Energy: -7.668 kcal/mol

Binding Energies:
  • Pose 1: -7.668 kcal/mol
  • Pose 2: -7.529 kcal/mol
  • Pose 3: -7.442 kcal/mol
  • Pose 4: -7.247 kcal/mol
  • Pose 5: -7.189 kcal/mol
  • Pose 6: -7.136 kcal/mol
  • Pose 7: -6.966 kcal/mol
  • Pose 8: -6.931 kcal/mol
  • Pose 9: -6.858 kcal/mol
CHEMBL1779710_dpp4
Energy Plot
RMSD Scatter Plot