Sentence examples for binding pocket using the from inspiring English sources

The second mode of alignment was generated by docking the inhibitors in the binding pocket using the DOCK and AFFINITY suite of programs; this gave a second model.

TxIA(A10L) was therefore placed in the α7 binding pocket using the PnIA(A10L D14K) binding mode (Celie et al, 2005a).

In the first step, the 814 metabolites were docked into each of the binding pockets using the LibDock algorithm [ 55– 58] to filter binders from non-binders.

Interestingly, a very similar sequence of events was observed in simulations where ADP was pulled from the binding pocket using SMD simulations in the absence of Mg2+ ions (51).

We further substantiated the identity of the binding pocket using site-directed mutagenesis.

Cannabinoid receptor binding data of the series allowed identifying steric constraints within the CB2 binding pocket using a study of Van der Waals' volume maps.

In this work, to improve the preference of BsGDH for xylose, we designed seven mutants inside or adjacent to the substrate binding pocket using site-directed mutagenesis.

One way of exploring the relationship between dimer stability and H4B binding is to investigate the pterin binding pocket using various pterin analogues.

Ligands were docked to the orthosteric binding pocket using Glide Extra Precision (Friesner et al., 2006), and figures were prepared in PyMol (Schrodinger, 2010).

a Protein Tm1631 and b zoom in of the binding pocket used for QM/MM calculation.

A variety of three-dimensional structures have shown that calcium-binding to most S100 proteins results in a conformational change that exposes a hydrophobic binding pocket used to recruit target protein partners.