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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2020
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| Materias: | |
| 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 |