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

Docking Result

CHEMBL4635648_dpp4

Atoms: 297
Models: 9
Best Energy: -8.719 kcal/mol

Binding Energies:
  • Pose 1: -8.719 kcal/mol
  • Pose 2: -8.21 kcal/mol
  • Pose 3: -8.004 kcal/mol
  • Pose 4: -7.69 kcal/mol
  • Pose 5: -7.451 kcal/mol
  • Pose 6: -7.428 kcal/mol
  • Pose 7: -7.199 kcal/mol
  • Pose 8: -7.136 kcal/mol
  • Pose 9: -7.096 kcal/mol
CHEMBL4635648_dpp4
Energy Plot
RMSD Scatter Plot