Sentence examples for reactivity approach from inspiring English sources

Examples of these methods include IMPACTS [9], which combines docking with a fragment based reactivity approach, and a recently published approach [10] that makes use of a tethered docking methodology using GOLD [11] combined with a reactivity approach based on hydrogen bond order descriptors and a novel implementation of the average local ionisation energy.

Alternatively, a reactivity approach can be taken when receptor selectivity is challenging and/or when binding of a metal of interest quenches fluorophore emission.

Other methods take the accessibility consideration further and employ docking techniques to refine the predictions from reactivity approaches.

This Account summarizes progress in our laboratory on the development of fluorescent probes for transition metals using recognition and reactivity approaches and their application to identify principles of transition metal signaling.

The retrieved structures and maps can be used to cluster similar epitopes in cross-reactivity approaches, to analyse viral escape mutations in a structural level or even to improve the immunogenicity of tumour antigens.

Moreover, based on the covalent immobilization of stable and versatile SAMs of programmable chemical reactivity, this approach constitutes a general platform for the parallel site-specific deposition of a wide range of molecules such as organic fluorophores and water-soluble colloidal nanocrystals.

We have employed this reactivity-based approach for the detection of transient biological analytes, such as hydrogen peroxide, carbon monoxide, and hydrogen sulfide, as well as redox-active Co II) and Fe(II).

We have therefore pursued a reactivity-based approach to the detection of Co II) and Fe(II) that features metal dissociation after the reaction to liberate a free fluorophore, thereby avoiding quenching.

Predictions of the sites of metabolism in the structures of metabolized molecules were performed using quantum-mechanical (QM) reactivity calculations,QSAR approaches, 1446) and pharmacophore-based procedures on substrate molecules, and docking(1439) utilizing the structural information about the binding site.

Experimental kinetics confirm that these twisted cyclodecynes can be more reactive toward azides than activated cyclononynes and approach the reactivity of cyclooctynes.

Using a membrane-strip based Western blot approach, the reactivity of each antigen fragment against a panel of animal sera was determined.