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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
Autores principales: Jaghoori, Mohammad Mahdi, Bleijlevens, Boris, Olabarriaga, Silvia D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4801993/
https://www.ncbi.nlm.nih.gov/pubmed/26897747
http://dx.doi.org/10.1007/s10822-016-9900-9