Yesterday Matt, Jen, and I put up some new drug target pages on the Development Web Site. The entry point for the new pages is http://web-1.nmpdr.org/next/content/docking_proof_of_principle.php. The entry page shows the three PDBs used as examples in Gohar's thesis, and contains links to some charts and to a page that displays the ligands and the docking results.
The ligands page is generated from an updated version of the ligands.cgi script from the bio servers. The major change from the original script is that we show 50 ligands at a time instead of all 10,000 on a single page. (The latter ran into problems due to the template philosophy used elsewhere in Sprout. So that the best results were shown first, we used a utility to sort the data files so the examples with the lowest binding energy appear first.
Hopefully, this will be the first of many pages of drug target results we can show on the NMPDR.
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