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

Docking Result

CHEMBL397744_dpp4

Atoms: 279
Models: 9
Best Energy: -8.092 kcal/mol

Binding Energies:
  • Pose 1: -8.092 kcal/mol
  • Pose 2: -8.067 kcal/mol
  • Pose 3: -7.82 kcal/mol
  • Pose 4: -7.755 kcal/mol
  • Pose 5: -7.754 kcal/mol
  • Pose 6: -7.565 kcal/mol
  • Pose 7: -7.524 kcal/mol
  • Pose 8: -7.439 kcal/mol
  • Pose 9: -7.385 kcal/mol
CHEMBL397744_dpp4
Energy Plot
RMSD Scatter Plot