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Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking

In recent years, crystallographic fragment screening has matured into an almost routine experiment at several modern synchrotron sites. The hits of the screening experiment, i.e. small molecules or fragments binding to the target protein, are revealed along with their 3D structural information. Ther...

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Detalles Bibliográficos
Autores principales:	Metz, Alexander, Wollenhaupt, Jan, Glöckner, Steffen, Messini, Niki, Huber, Simon, Barthel, Tatjana, Merabet, Ahmed, Gerber, Hans-Dieter, Heine, Andreas, Klebe, Gerhard, Weiss, Manfred S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	International Union of Crystallography 2021
Materias:	Research Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8411975/ https://www.ncbi.nlm.nih.gov/pubmed/34473087 http://dx.doi.org/10.1107/S2059798321008196

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