Sentence examples for binding conformation within the from inspiring English sources

Their predicted binding conformation within the large cavity of ABCB1 is yet to be determined.

We used docking simulations to calculate their lowest-energy binding conformations within the thyroxine binding sites of human TTR, thereby providing corroborating evidence for their high-affinity binding, and insight into potential binding orientations.

In summary, these data suggest that the secondary low-affinity conformation of the β1-adrenoceptor may be a consequence of negative cooperative interactions between 2 orthosteric binding conformations within a β1-adrenoceptor homodimer.

Redocking of the peptide inhibitor (present within the active site of retrieved crystal structure of caspase-3) was performed to acquire and validate the size, center of the coordinate grid, and ligand binding conformation in the binding pocket.

Additionally, a docking model predicted the binding conformation of WHI-P154 within the transmembrane region of homology-modeled human ABCG2 transporter.

b The binding conformation of compound A1 in the active site of pancreatic lipase.

Active site was defined as the area within 10 Å from Lys340. Figure 5 shows the predicted binding conformation of inhibitor 9 in the active site of PBP2x 5204.

The active site was defined as the area within 10 Å from Lys406. Figure 4 shows the predicted binding conformation of inhibitor 1 in the active site of PBP2a.

Clearly, the binding conformation of DB00631 was impacted by the co-binding peptide.

Systematic search generates all possible ligand binding conformations by exploring the whole conformational space.

Figure 3 shows the binding conformation of orlistat (left) and vibralactone (right) in the active site.