Sentence examples for mode hypothesis from inspiring English sources

In the first case, we formulated a binding mode hypothesis for a series of 59 partial agonists at the human α 7 nicotinic receptor using an iterative unsupervised alignment procedure implemented in Open3DALIGN [2].

This enables construction of a compact scheme of crucial forces involved in ligand-receptor complex formation, which then facilitate design of a binding mode hypothesis and description of preferred ligand positions within the active site.

This approach allows us to choose and apply the right PFI technique to find the failure root cause in a very time effective manner and propose the failure mode hypothesis.

Our hypothesis is compatible with site-directed mutagenesis data and fits an independent α 7 receptor homology model; the associated COSMOsar3D model has excellent predictive power (Figure 1). Figure 1 α 7 ligand binding mode hypothesis (left); experimental vs predicted pIC50 plot (top).

According to an influential theory, the default mode hypothesis, these regions form a default mode network (DMN) engaged in specific processes that normally occur during the conscious resting state [7].

The criticality analysis of the process parametric space results in a failure mode hypothesis that needs empirical confirmation.

Structure-activity relationship studies and binding mode hypotheses were used to optimize the scaffold and yield the compound BMD4503-2, which recovered the downregulated activity of the Wnt/β-catenin signaling pathway by competitive binding to the LRP5/6-sclerostin complex.

Borrowing from FBDD, the process involves fragmentation of known actives, proposition of binding mode hypotheses for the fragments, and model-driven recombination using a pharmacophore derived from known kinase inhibitor structures.

Figure 2 illustrates the binding mode hypotheses thus obtained.

Docking and rational design are now well-established tools for the understanding of binding modes, the generation of respective binding mode hypotheses, and, subsequently, rational design.

Starting from classical homology and docking approaches, binding mode hypotheses are created for five agonists of the nAChR, covering insecticides in the main group 4 of the Insecticide Resistance Action Committee (IRAC) mode of action (MoA) classification, namely, neonicotinoids, nicotine, sulfoxaflor, and butenolides.