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

Docking Result

CHEMBL4577865_dpp4

Atoms: 351
Models: 9
Best Energy: -8.552 kcal/mol

Binding Energies:
  • Pose 1: -8.552 kcal/mol
  • Pose 2: -8.322 kcal/mol
  • Pose 3: -8.312 kcal/mol
  • Pose 4: -8.149 kcal/mol
  • Pose 5: -8.148 kcal/mol
  • Pose 6: -8.075 kcal/mol
  • Pose 7: -8.061 kcal/mol
  • Pose 8: -7.987 kcal/mol
  • Pose 9: -7.878 kcal/mol
CHEMBL4577865_dpp4
Energy Plot
RMSD Scatter Plot