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For computational approaches this means that before one can sit in front of a computer to use it for a problem one needs to understand what one wants to do, which does not require a computer.
For computational approaches like molecular docking fragments pose also new challenges.
These and other examples illustrate the potential for computational approaches to enhance and invigorate biology education at secondary and postsecondary levels (Syh-Jong 2008).
There is considerable empirical evidence that mental processes involve "manipulation of symbols"; Searle gives us no alternative explanation (this is sometimes called Fodor's "Only Game in Town" argument for computational approaches).
Here, three application areas for computational approaches are considered: (i) exploration of TLR structure and activation; (ii) understanding TLR modulation; and (iii) TLR drug discovery.
Successful discrimination between N2P2 and M3P6, despite their overlapping binding preferences, is highly encouraging for computational approaches to selective PDZ targeting, especially because design relied on a homology model of M3P6.
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The ever growing number of completed genome sequencing projects has allowed for the extensive use of computational approaches for comparative genomics identifying potential transcriptional regulatory networks and key elements, such as transcription factor binding sites (TFBSs) [ 1].
A number of computational approaches for the cophylogeny reconstruction problem have been proposed and implemented in software.
Kirchmair et al. provide a comprehensive review of computational approaches for predicting outcomes of xenobiotic transformations [ 24].
Our approach opens the possibility for a systematic analysis of animal model phenotypes for candidate drug targets, and has a significant impact for integrative computational approaches to drug repurposing.
There continues to be an opportunity for innovative computational approaches to solving problems in medicinal chemistry.
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