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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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Détails bibliographiques
Publié dans:J Comput Aided Mol Des
Auteurs principaux: Jaghoori, Mohammad Mahdi, Bleijlevens, Boris, Olabarriaga, Silvia D.
Format: Artigo
Langue:Inglês
Publié: Springer International Publishing 2016
Sujets:
Accès en ligne: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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