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Large-scale virtual screening on public cloud resources with Apache Spark
BACKGROUND: Structure-based virtual screening is an in-silico method to screen a target receptor against a virtual molecular library. Applying docking-based screening to large molecular libraries can be computationally expensive, however it constitutes a trivially parallelizable task. Most of the av...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5339264/ https://www.ncbi.nlm.nih.gov/pubmed/28316653 http://dx.doi.org/10.1186/s13321-017-0204-4 |