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

Docking Result

CHEMBL145855_dpp4

Atoms: 243
Models: 9
Best Energy: -6.851 kcal/mol

Binding Energies:
  • Pose 1: -6.851 kcal/mol
  • Pose 2: -6.637 kcal/mol
  • Pose 3: -6.489 kcal/mol
  • Pose 4: -6.421 kcal/mol
  • Pose 5: -6.267 kcal/mol
  • Pose 6: -6.228 kcal/mol
  • Pose 7: -6.199 kcal/mol
  • Pose 8: -6.168 kcal/mol
  • Pose 9: -6.116 kcal/mol
CHEMBL145855_dpp4
Energy Plot
RMSD Scatter Plot