Sentence examples for compounds were docked into from inspiring English sources

All compounds were docked into 15-LO.

The selected compounds were docked into the cruzain active site.

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

All compounds were docked into SLO active site and showed that allyl group of compounds is oriented toward the iron atom in the active site of SLO.

Structures of newly synthesized compounds were docked into active site of COX-2 enzyme PDB: 1CX2, 3.0 Å X-ray resolution and plausible binding modes were compared with standard drug Celecoxib.

The compounds were docked into respective proteins, and SIFts were calculated for each protein-ligand complex.

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.

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

The decoy set, enriched with 52 active compounds, was docked into each model and ranked by GlideScore to obtain one pose per ligand (tables S3 and S4 in the Supporting Information).

Each ToxCast compound was docked into the five published crystallographic structures of human PXR (hPXR), and 15 compounds were selected based on their consensus docking scores for testing.