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Docking-based virtual screening of TβR1 inhibitors: evaluation of pose prediction and scoring functions

To improve the reliability of virtual screening for transforming growth factor-beta type 1 receptor (TβR1) inhibitors, 2 docking methods and 11 scoring functions in Discovery Studio software were evaluated and validated in this study. LibDock and CDOCKER protocols were performed on a test set of 24...

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Detalles Bibliográficos
Autores principales:	Wang, Shuai, Jiang, Jun-Hao, Li, Ruo-Yu, Deng, Ping
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2020
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7427878/ https://www.ncbi.nlm.nih.gov/pubmed/32818203 http://dx.doi.org/10.1186/s13065-020-00704-3

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