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

Docking Result

CHEMBL1243372_dpp4

Atoms: 234
Models: 9
Best Energy: -7.485 kcal/mol

Binding Energies:
  • Pose 1: -7.485 kcal/mol
  • Pose 2: -7.396 kcal/mol
  • Pose 3: -7.322 kcal/mol
  • Pose 4: -7.268 kcal/mol
  • Pose 5: -7.235 kcal/mol
  • Pose 6: -7.138 kcal/mol
  • Pose 7: -6.95 kcal/mol
  • Pose 8: -6.907 kcal/mol
  • Pose 9: -6.882 kcal/mol
CHEMBL1243372_dpp4
Energy Plot
RMSD Scatter Plot