USRCAT virtual screening results for compound OSM-S-35 against small molecules in the PDB.
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https://figshare.com/articles/dataset/USRCAT_virtual_screening_results_for_compound_OSM_S_35_against_small_molecules_in_the_PDB_/639956/1
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资源简介：
USRCAT search with one of the OSDD Malaria compounds, <em>OSM-S-35</em>. 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 <em>OSM-S-35</em> and a conformer generated for each with OpenEye's OMEGA toolkit.
提供机构：
figshare
创建时间：
2016-01-11
