Computational protein–ligand docking and virtual drug screening with the AutoDock suite
نویسندگان
چکیده
منابع مشابه
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Large-scale computing technologies have enabled high-throughput virtual screening involving thousands to millions of drug candidates. It is not trivial, however, for biochemical scientists to evaluate the technical alternatives and their implications for running such large experiments. Besides experience with the molecular docking tool itself, the scientist needs to learn how to run it on high-...
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ژورنال
عنوان ژورنال: Nature Protocols
سال: 2016
ISSN: 1754-2189,1750-2799
DOI: 10.1038/nprot.2016.051