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

Docking Result

CHEMBL97970_dpp4

Atoms: 261
Models: 9
Best Energy: -7.891 kcal/mol

Binding Energies:
  • Pose 1: -7.891 kcal/mol
  • Pose 2: -7.781 kcal/mol
  • Pose 3: -7.609 kcal/mol
  • Pose 4: -7.513 kcal/mol
  • Pose 5: -7.481 kcal/mol
  • Pose 6: -7.45 kcal/mol
  • Pose 7: -7.316 kcal/mol
  • Pose 8: -7.211 kcal/mol
  • Pose 9: -7.11 kcal/mol
CHEMBL97970_dpp4
Energy Plot
RMSD Scatter Plot