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1001 Ways to run AutoDock Vina for virtual screening

Large-scale computing technologies have enabled high-throughput virtual screening involving thousands to millions of drug candidates. It is not trivial, however, for biochemical scientists to evaluate the technical alternatives and their implications for running such large experiments. Besides exper...

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Detalles Bibliográficos
Publicado en:J Comput Aided Mol Des
Autores principales: Jaghoori, Mohammad Mahdi, Bleijlevens, Boris, Olabarriaga, Silvia D.
Formato: Artigo
Lenguaje:Inglês
Publicado: Springer International Publishing 2016
Materias:
Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC4801993/
https://ncbi.nlm.nih.gov/pubmed/26897747
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-016-9900-9
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