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The XChemExplorer graphical workflow tool for routine or large-scale protein–ligand structure determination

XChemExplorer (XCE) is a data-management and workflow tool to support large-scale simultaneous analysis of protein–ligand complexes during structure-based ligand discovery (SBLD). The user interfaces of established crystallo­graphic software packages such as CCP4 [Winn et al. (2011 ▸), Acta Cryst. D...

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Detalles Bibliográficos
Autores principales: Krojer, Tobias, Talon, Romain, Pearce, Nicholas, Collins, Patrick, Douangamath, Alice, Brandao-Neto, Jose, Dias, Alexandre, Marsden, Brian, von Delft, Frank
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5349439/
https://www.ncbi.nlm.nih.gov/pubmed/28291762
http://dx.doi.org/10.1107/S2059798316020234