Virtual strategies

Virtual screening assists the selection of compounds for screening in-house libraries and compounds from external suppliers. Two different strategies can be applied ... 

The TCA cycle can now be completed by converting succinate to oxaloacetate. This latter process represents a net oxidation. The TCA cycle breaks it down into (consecutively) an oxidation step, a hydration reaction, and a second oxidation step. The oxidation steps are accompanied by the reduction of an [FAD] and an NAD. The reduced coenzymes, [FADHg] and NADH, subsequently provide reducing power in the electron transport chain. (We see in Chapter 24 that virtually the same chemical strategy is used in /3-oxidation of fatty acids.)... 

Molecularly imprinted polymers (MIPs) can be prepared according to a number of approaches that are different in the way the template is linked to the functional monomer and subsequently to the polymeric binding sites (Fig. 6-1). Thus, the template can be linked and subsequently recognized by virtually any combination of cleavable covalent bonds, metal ion co-ordination or noncovalent bonds. The first example of molecular imprinting of organic network polymers introduced by Wulff was based on a covalent attachment strategy i.e. covalent monomer-template, covalent polymer-template [12]. 

Nilles, J. M. (1998). Managing Telework. Strategies for Managing the Virtual Workforce. John Wiley and Sons. 

Gruneberg S, Stubbs MT, Klebe G. Successful virtual screening for novel inhibitors of human carbonic anhydrase strategy and experimental confirmation. J Med Chem 2002 45 3588-602. 

Keywords VS, Virtual Screening, Lead discovery, lead, HTS, Pharmacophore-Based, Structure-Based, Fragment-based, Ligand-based, Docking, Scoring, hybrid workflows, VS strategy, Benchmarking VS... 

The results obtained with the ICAT labeling strategy are similar, in principle, to those obtained by in vivo labeling with stable isotopes in that the relative ratios of proteins from different samples are obtained (Fig. 3.2). The important difference between the methods is that the ICAT-labeling procedure is performed in vitro on protein lysates. Therefore, the ICAT-labeling strategy can be applied to samples that cannot be labeled in vivo. Because the ICAT-labeling method can be used with virtually any sample, it... 

Silica particles have been exploited in virtually every assay or detection strategy that polymer particles have been used in for bioapplication purposes. Recently, fluorescent dye-doped silica nanoparticles have been developed by a number of groups that have similar fluorescence characteristics to quantum dot nanocrystals (Chapter 9, Section 10). Fluorescent silica nanoparticles can be synthesized less expensively than quantum dots due to the fact that the silica particles incorporate standard organic dyes (Ow et al., 2005 Wang et al., 2006) and are not dependent on making reproducible populations of semiconductor particles with precise diameters to tune emission wavelengths. 

Again, we are reminded that Nature provides the ultimate model for emulation in the use of cooperative interactions of an enormous number of small structural components through many weak, reversible attractions and repulsions to produce such complex microstructures as proteins, enzymes, viruses, and cells with virtually perfect fidelity (Whitesides, 1991). One important strategy for producing ultra-thin films of promise for microelectronics... 

Despite these differences, the similarities predominate and virtually all the features noted for spin crossover in iron(II) are also found for iron(III). Because of the great emphasis on the cooperative aspects of the spin crossover phenomenon, iron(II) systems have tended to dominate more recent research. However, there are very striking examples among the iron(III) systems which are of strong relevance to these aspects and there is certainly scope for future work in this area. This is evident in much of the very recent work where it can be seen that specific strategies to increase the cooperativity have been successful and have led, for example, to solid iron(III) systems which display the LIESST effect [137, 138]. The generation of polymeric species as a means of increasing cooperativity, an approach which has been widely adopted for iron(II), has received relatively little attention for iro-n(III) and this is an area which can be expected to be exploited further. 

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