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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 exten...

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Detalhes bibliográficos
Main Authors: Echols, Nathaniel, Moriarty, Nigel W., Klei, Herbert E., Afonine, Pavel V., Bunkóczi, Gábor, Headd, Jeffrey J., McCoy, Airlie J., Oeffner, Robert D., Read, Randy J., Terwilliger, Thomas C., Adams, Paul D.
Formato: Artigo
Idioma:Inglês
Publicado em: International Union of Crystallography 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3919266/
https://ncbi.nlm.nih.gov/pubmed/24419387
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S139900471302748X
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