Sentence examples for In this docking, from inspiring English sources

In this docking the target atoms remain fixed whereas the small molecules are completely flexible.

In this docking model we measured the distance between the Cβ atoms of K389PTP-SL and its potential cross-linked partner K149ERK2 involved both in alternative B and alternative C. That distance was found to be 24 Å, significantly higher than the 21.3 Å limit corresponding to the maximally allowed distance between Cβ atoms of two lysines cross-linked with BS3 cross-linker.

In this docking pose the hydroxyl group of intermediate 7 occupies the original position of the metal-bound hydroxide ion displayed in the crystal structure and the terminal amino group (β in Scheme 2) of the formimino substituent interacts with Asp-320.

The most complex and important step in this docking process is scoring.

The careful validation of the SOL docking program was carried out using two different validation protocols to test the correctness of the physical and mathematical principals implemented in this docking program [9], [15].

In the ADAM17 (PDB code 3G42) structure, they create a more restricted active-site cleft, which may explain the fewer active-site fits in this docking experiment.

IPhone and iPod Touch owners can place their devices in this dock, which has the antenna necessary to pull in a satellite signal.

Hydrogen bonding between the cationic nitrogen atom of the ligand and the binding pocket residues are not observed in this docked pose.

Response: While the lower docking scores are noted I do not think this necessarily excludes them from inhibiting, as we know docking scores may not be that accurate and in this case, docking was used to answer the question could they fit.

Importantly, inhibition of the PI3K/AKT pathway or mutation of S159 resulted in increased tyrosine phosphorylation of this docking protein, and the Gab2S159A mutant displayed transforming properties in fibroblasts.

Consequently, the docking programme used in this study (DOCK 3.5 ) was biased to address this part of the binding site by only placing spheres for ligand matching close to the cluster of positively charged residues.