Automating crystallographic structure solution and refinement of protein–ligand complexes
نویسندگان
چکیده
منابع مشابه
Automating crystallographic structure solution and refinement of protein–ligand complexes
High-throughput drug-discovery and mechanistic studies often require the determination of multiple related crystal structures that only differ in the bound ligands, point mutations in the protein sequence and minor conformational changes. If performed manually, solution and refinement requires extensive repetition of the same tasks for each structure. To accelerate this process and minimize man...
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CLRC Daresbury Laboratory, Synchrotron Radiation Department, Warrington, Cheshire WA4 4AD, England, Nitrogen Fixation Laboratory, John Innes Centre, Colney, Norwich NR4 7UH, England, Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, CA 91125, USA, Department of Biochemistry, University of Minnesota, Minneapolis, Minnesota 55455, USA, Stanford Synchrot...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section D Biological Crystallography
سال: 2013
ISSN: 1399-0047
DOI: 10.1107/s139900471302748x