CcpNmr AnalysisScreen, a new software programme with dedicated automated analysis tools for fragment-based drug discovery by NMR.

Mureddu, Luca G; Ragan, Timothy J; Brooksbank, Edward J; Vuister, Geerten W

Mureddu, Luca G; Ragan, Timothy J; Brooksbank, Edward J; Vuister, Geerten W.

Afiliación

Mureddu LG; Department of Molecular and Cell Biology, Leicester Institute of Structural and Chemical Biology, University of Leicester, Henry Wellcome Building, Lancaster Road, Leicester, LE1 7HN, UK.
Ragan TJ; Department of Molecular and Cell Biology, Leicester Institute of Structural and Chemical Biology, University of Leicester, Henry Wellcome Building, Lancaster Road, Leicester, LE1 7HN, UK.
Brooksbank EJ; Department of Molecular and Cell Biology, Leicester Institute of Structural and Chemical Biology, University of Leicester, Henry Wellcome Building, Lancaster Road, Leicester, LE1 7HN, UK.
Vuister GW; Department of Molecular and Cell Biology, Leicester Institute of Structural and Chemical Biology, University of Leicester, Henry Wellcome Building, Lancaster Road, Leicester, LE1 7HN, UK. gv29@leicester.ac.uk.

J Biomol NMR ; 74(10-11): 565-577, 2020 Nov.

Article en En | MEDLINE | ID: mdl-32638146

Asunto(s)

Química Computacional/métodos; Descubrimiento de Drogas/métodos; Resonancia Magnética Nuclear Biomolecular/métodos; Algoritmos; Ligandos; Programas Informáticos; Interfaz Usuario-Computador; Flujo de Trabajo

Palabras clave

CCPN; CcpNmr software; FBDD; Fragments based drug discovery; NMR; Screening

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Resonancia Magnética Nuclear Biomolecular / Descubrimiento de Drogas / Química Computacional Idioma: En Revista: J Biomol NMR Asunto de la revista: BIOLOGIA MOLECULAR / DIAGNOSTICO POR IMAGEM / MEDICINA NUCLEAR Año: 2020 Tipo del documento: Article País de afiliación: Reino Unido

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