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

Docking Result

CHEMBL354936_dpp4

Atoms: 297
Models: 9
Best Energy: -7.913 kcal/mol

Binding Energies:
  • Pose 1: -7.913 kcal/mol
  • Pose 2: -7.824 kcal/mol
  • Pose 3: -7.536 kcal/mol
  • Pose 4: -7.466 kcal/mol
  • Pose 5: -7.438 kcal/mol
  • Pose 6: -7.324 kcal/mol
  • Pose 7: -7.314 kcal/mol
  • Pose 8: -7.205 kcal/mol
  • Pose 9: -7.031 kcal/mol
CHEMBL354936_dpp4
Energy Plot
RMSD Scatter Plot