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

Docking Result

CHEMBL194979_dpp4

Atoms: 306
Models: 9
Best Energy: -8.384 kcal/mol

Binding Energies:
  • Pose 1: -8.384 kcal/mol
  • Pose 2: -8.173 kcal/mol
  • Pose 3: -8.117 kcal/mol
  • Pose 4: -8.036 kcal/mol
  • Pose 5: -7.952 kcal/mol
  • Pose 6: -7.827 kcal/mol
  • Pose 7: -7.823 kcal/mol
  • Pose 8: -7.81 kcal/mol
  • Pose 9: -7.669 kcal/mol
CHEMBL194979_dpp4
Energy Plot
RMSD Scatter Plot