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

Docking Result

CHEMBL233337_dpp4

Atoms: 270
Models: 9
Best Energy: -8.48 kcal/mol

Binding Energies:
  • Pose 1: -8.48 kcal/mol
  • Pose 2: -8.456 kcal/mol
  • Pose 3: -8.322 kcal/mol
  • Pose 4: -8.238 kcal/mol
  • Pose 5: -8.196 kcal/mol
  • Pose 6: -8.181 kcal/mol
  • Pose 7: -8.137 kcal/mol
  • Pose 8: -8.135 kcal/mol
  • Pose 9: -8.011 kcal/mol
CHEMBL233337_dpp4
Energy Plot
RMSD Scatter Plot