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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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Detalhes bibliográficos
Publicado no:J Comput Aided Mol Des
Main Authors: Jaghoori, Mohammad Mahdi, Bleijlevens, Boris, Olabarriaga, Silvia D.
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2016
Assuntos:
Acesso em linha: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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