Sentence examples for compounds were docked from inspiring English sources

All compounds were docked into 15-LO.

The selected compounds were docked into the cruzain active site.

Cemadotin is a derivative of natural anti-tumor peptide dolastatin-15; hence these compounds were docked against all three IAPs.

All the synthesised compounds were docked to pantothenate synthetase enzyme site to know deferent binding interactions with the receptor.

The compounds were docked into 5-LO Xactive site and the binding characteristics were quantified using LUDI.

For the molecular dynamics simulations, we used an Aβ42 pentameric model where the compounds were docked using a blind docking technique.

The TCM compounds were docking into the binding site defined above by LigandFit protocol [ 26] in DS 2.5 using a shape filter and Monte-Carlo ligand conformation generation.

The TCM compounds were docking into the binding site using a shape filter and Monte-Carlo ligand conformation generation by LigandFit protocol [ 49] in DS 2.5.

A database of over 200,000 compounds was docked to the active site of AmpC β-lactamase to identify potential inhibitors.

In the first stage, the known active and inactive compounds are docked to receptor binding site; then the molecular interactions from the resulting ligand-protein complexes are encoded into binary format by means of the SIFt algorithm [2].

The decoy set enriched with our seventy-three compounds was docked into each X-ray structure and ranked by GlideScore.