Ligand placement based on prior structures: the guided ligand-replacement method
نویسندگان
چکیده
منابع مشابه
Ligand placement based on prior structures: the guided ligand-replacement method
The process of iterative structure-based drug design involves the X-ray crystal structure determination of upwards of 100 ligands with the same general scaffold (i.e. chemotype) complexed with very similar, if not identical, protein targets. In conjunction with insights from computational models and assays, this collection of crystal structures is analyzed to improve potency, to achieve better ...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section D Biological Crystallography
سال: 2013
ISSN: 1399-0047
DOI: 10.1107/s1399004713030071