Sentence examples for binding pockets using the from inspiring English sources
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.
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.
We describe an intensity-restrained optimization procedure for refining approximate structures of ligands within the protein binding pockets using STD-NMR intensity data on reversibly forming weak complexes.
a Pairwise dissimilarity matrix for binding pockets using complete amino acid structures, b pairwise dissimilarity matrix for binding pockets using atoms within a 6.5 Å distance from the bound ligand, c pairwise dissimilarity matrix for ligand structures.
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).
