http://wiki.docking.org/index.php?action=history&feed=atom&title=Zinc15_decoysZinc15 decoys - Revision history2026-05-25T07:04:58ZRevision history for this page on the wikiMediaWiki 1.39.1http://wiki.docking.org/index.php?title=Zinc15_decoys&diff=9263&oldid=prevFrodo: in progress2015-12-24T00:34:13Z<p>in progress</p>
<p><b>New page</b></p><div>*** in progress by jji ***<br />
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You can use ZINC15 to create decoys in three ways. <br />
<br />
1. for an individual molecule by ZINC ID<br />
<br />
2. for a list of ZINC IDs, in a file, one per line<br />
<br />
3. For a gene (e.g. DRD2). It will be for all ligands for this gene at 10uM.<br />
<br />
<br />
?for=ZINCID or -F for=@zincids.txt<br />
or ?resource=anyresource&key=anyidentivier<br />
<br />
<br />
1) dissimilarity is per "query" compound not over the whole set... so it's possible that very diverse targets could get things that are not really decoys<br />
2) it will generate for the entire resource (i.e. 3000 DRD2 compounds)<br />
3) charge is as-is<br />
but for resources it uses the charge of existing protomers<br />
or and substances<br />
i've gotta go, the family is restless</div>Frodo