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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...
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| Publicado no: | J Cheminform |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5339264/ https://ncbi.nlm.nih.gov/pubmed/28316653 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-017-0204-4 |
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