Cryptic binding sites on proteins: definition, detection, and druggability.

Vajda, Sandor; Beglov, Dmitri; Wakefield, Amanda E; Egbert, Megan; Whitty, Adrian

Vajda, Sandor; Beglov, Dmitri; Wakefield, Amanda E; Egbert, Megan; Whitty, Adrian.

Afiliación

Vajda S; Department of Biomedical Engineering, Boston University, Boston, MA 02215, United States; Department of Chemistry, Boston University, Boston, MA 02215, United States. Electronic address: vajda@bu.edu.
Beglov D; Department of Biomedical Engineering, Boston University, Boston, MA 02215, United States.
Wakefield AE; Department of Biomedical Engineering, Boston University, Boston, MA 02215, United States; Department of Chemistry, Boston University, Boston, MA 02215, United States.
Egbert M; Department of Biomedical Engineering, Boston University, Boston, MA 02215, United States.
Whitty A; Department of Chemistry, Boston University, Boston, MA 02215, United States. Electronic address: awhitty@bu.edu.

Curr Opin Chem Biol ; 44: 1-8, 2018 06.

Article en En | MEDLINE | ID: mdl-29800865

Asunto(s)

Sitios de Unión/efectos de los fármacos; Descubrimiento de Drogas/métodos; Proteínas/química; Animales; Diseño Asistido por Computadora; Humanos; Ligandos; Aprendizaje Automático; Simulación del Acoplamiento Molecular; Simulación de Dinámica Molecular; Proteínas/metabolismo

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Sitios de Unión / Proteínas / Descubrimiento de Drogas Tipo de estudio: Diagnostic_studies Límite: Animals / Humans Idioma: En Revista: Curr Opin Chem Biol Asunto de la revista: BIOQUIMICA Año: 2018 Tipo del documento: Article

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