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

Docking Result

CHEMBL250283_dpp4

Atoms: 288
Models: 9
Best Energy: -8.247 kcal/mol

Binding Energies:
  • Pose 1: -8.247 kcal/mol
  • Pose 2: -8.031 kcal/mol
  • Pose 3: -7.664 kcal/mol
  • Pose 4: -7.582 kcal/mol
  • Pose 5: -7.461 kcal/mol
  • Pose 6: -7.458 kcal/mol
  • Pose 7: -7.366 kcal/mol
  • Pose 8: -7.287 kcal/mol
  • Pose 9: -7.284 kcal/mol
CHEMBL250283_dpp4
Energy Plot
RMSD Scatter Plot