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USRCAT virtual screening results for compound OSM-S-35 against small molecules in the PDB.

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posted on 2013-02-26, 11:58 authored by Adrian SchreyerAdrian Schreyer

USRCAT search with one of the OSDD Malaria compounds, OSM-S-35. The SMILES strings were obtained by using chemicalize.org on the relevant OSDD blog post (http://malaria.ourexperiment.org/biological_data/6734/Biological_Activities_of_OSMS106_through_116.html). Two isomers were found for OSM-S-35 and a conformer generated for each with OpenEye's OMEGA toolkit.

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