Sentence examples for binding modes for one from inspiring English sources

In spite of the structural plasticity of CYP3A4, we have been able to use MD simulations to identify plausible productive and nonproductive binding modes for one or more substrate molecules in the substrate-binding pocket of the enzyme.

Accordingly, the advantage of using multiple restrictive pharmacophore models representing different binding modes for one target compared to using one quite general model covering most active ligands is a way to avoid a high number of false positive hits.

The binding data best fit to a 2 1 binding model, suggesting two binding modes for S20 on HA.

This observed binding pose is in agreement with previously proposed binding modes for heparin on IL-8.

31 The geometrical differences in TM6 and TM7 between D1 and D2 may be the reason why we see two different binding modes for D1 agonists and only one for D2 agonists.

Diverse ligands with distinct scaffolds modulating one target may represent alternative binding modes for the same active site, but on occasion may also indicate binding at an allosteric site or a pharmacologically distinct function.

All of the observed binding modes for the core fragments were among the ones generated in the kinase docking panel.

A subsequent clustering based on these results is expected to uncover typical binding modes for pyrophosphates.

We aim at elucidating plausible binding modes for ligands of each subtype, respectively.

3FY-Brd4(1) was used to further characterize the kinase inhibitor binding modes for Dinaciclib, BI2536, and TG101348.

Two major binding modes for the SSB−DNA interaction have been described.