Benchmarking of different molecular docking methods for protein-peptide docking
نویسندگان
چکیده
منابع مشابه
Benchmarking sets for molecular docking.
Ligand enrichment among top-ranking hits is a key metric of molecular docking. To avoid bias, decoys should resemble ligands physically, so that enrichment is not simply a separation of gross features, yet be chemically distinct from them, so that they are unlikely to be binders. We have assembled a directory of useful decoys (DUD), with 2950 ligands for 40 different targets. Every ligand has 3...
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ژورنال
عنوان ژورنال: BMC Bioinformatics
سال: 2019
ISSN: 1471-2105
DOI: 10.1186/s12859-018-2449-y