Sentence examples for docking stage from inspiring English sources

The docking stage comprises an ensemble-based soft-docking experiment using FlexX-Ensemble [2], followed by an effective flexible receptor-ligand complex optimization using Yasara [3].

In second alternative way, the single position docking stage was bypassed, and the entire library was enumerated using all chemical reagents by docking on the COX-2 enzyme.

The docking stage occurs over a wide temperature range, starting with the formation of the first peptide-fibril interactions at 500 K. Docking is completed when a peptide fully adsorbs on the fibril edge at the temperature of 380 K.

Liu et al. discovered two potent IGF-1R kinase inhibitors via hierarchical strategy based virtual screening (pharmacophore screening and docking), which efficiently reduced the number of "nonhits" passed to docking stage and consequently reduced the computational cost [36].

Our method consists of an ensemble docking stage in which the ligand of interest is docked into a structural ensemble of receptor conformations, followed by a complex optimization stage during which both ligand and protein are allowed to move.

However, these proposals may still slightly differ from their actual location which can be only determined in presence of pose and active site, i. e., after the docking stage.

The decoy set also contains a large number of additional statistics regarding the performance of the various interface predictors and the different docking stages.

These include, among other, the sensitivity and specificity of each interface predictor for both chains, the number of one-star, two-star and three-star solutions at each of the docking stages, and also their ranks.

Next, we examined BB docking by staging the differentiating cells into stage II-III (BB amplification and docking) and stage IV (every BB has a cilia and is docked) (see model Figure 4A).

The step-wise reaction in which mRNA targeting and docking are staged and intertwined with Ire1 activation may help ascertain that Ire1 recognizes HAC1 mRNA as its privileged substrate, even though at least 50 consensus sequence splice site motifs are present in the yeast transcriptome (Gonzalez et al., 1999; Niwa et al., 2005).

In addition, the project includes construction of a loading dock and staging area.