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

Docking Result

CHEMBL237673_dpp4

Atoms: 270
Models: 9
Best Energy: -7.394 kcal/mol

Binding Energies:
  • Pose 1: -7.394 kcal/mol
  • Pose 2: -7.275 kcal/mol
  • Pose 3: -7.143 kcal/mol
  • Pose 4: -7.114 kcal/mol
  • Pose 5: -6.68 kcal/mol
  • Pose 6: -6.589 kcal/mol
  • Pose 7: -6.574 kcal/mol
  • Pose 8: -6.551 kcal/mol
  • Pose 9: -6.532 kcal/mol
CHEMBL237673_dpp4
Energy Plot
RMSD Scatter Plot