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

Docking Result

CHEMBL2147702_dpp4

Atoms: 270
Models: 9
Best Energy: -8.284 kcal/mol

Binding Energies:
  • Pose 1: -8.284 kcal/mol
  • Pose 2: -8.042 kcal/mol
  • Pose 3: -7.818 kcal/mol
  • Pose 4: -7.481 kcal/mol
  • Pose 5: -7.466 kcal/mol
  • Pose 6: -7.433 kcal/mol
  • Pose 7: -7.389 kcal/mol
  • Pose 8: -7.342 kcal/mol
  • Pose 9: -7.311 kcal/mol
CHEMBL2147702_dpp4
Energy Plot
RMSD Scatter Plot