Identification of new potent agonists for toll-like receptor 8 by virtual screening methods, molecular dynamics simulation, and MM-GBSA.

Sadeghkhani, Farideh; Hajihassan, Zahra; Gharaghani, Sajjad

Sadeghkhani, Farideh; Hajihassan, Zahra; Gharaghani, Sajjad.

Afiliación

Sadeghkhani F; Department of Life Science Engineering, Faculty of New Sciences & Technologies, University of Tehran, Tehran, Iran.
Hajihassan Z; Department of Life Science Engineering, Faculty of New Sciences & Technologies, University of Tehran, Tehran, Iran.
Gharaghani S; Laboratory of Bioinformatics and Drug Design, Institute of Biochemistry and Biophysics, University of Tehran, Tehran, Iran.

J Biomol Struct Dyn ; 41(19): 10026-10036, 2023 11.

Article en En | MEDLINE | ID: mdl-36469705

Asunto(s)

Simulación de Dinámica Molecular; Neoplasias; Humanos; Receptor Toll-Like 8; Simulación del Acoplamiento Molecular; Ligandos

Palabras clave

MM-GBSA; Toll-like receptor 8; docking; molecular dynamics simulation; virtual screening

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Simulación de Dinámica Molecular / Neoplasias Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Límite: Humans Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: Irán

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