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The recent structural elucidation of about one dozen channels (in which we include transporters) has provided further evidence that these membrane proteins typically undergo large movements during their function. However, it is still not well understood how these proteins achieve the necessary trade-off between stability and mobility. To identify specific structural properties of channels, we compared...
In a search for novel 5HT-2A antagonists it was noted that a diverse range of ligands with known IC50 values were available. Moreover, these were proven anagonists and so provided a good dataset for pattern recognition techniques using CATALYST TM 2.3.A training set was developed and from this approximately 200 hypotheses were generated. The best of these hypotheses, which describe...
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