Abstract
Discovering small molecules that interact with protein targets identified by structural genomics, proteomics and bioinformatics will be a key part of future drug discovery efforts. Computational screening of drug-like molecules is likely to be valuable in this respect; however, the vast number of such molecules makes the potential size of this task enormous. Here, I describe how massively distributed computing using screensavers has allowed databases of billions of compounds to be screened against protein targets in a matter of days.
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Acknowledgements
This work has been supported in part by the National Foundation for Cancer Research and The Wellcome Trust.
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Richards, W. Virtual screening using grid computing: the screensaver project. Nat Rev Drug Discov 1, 551–555 (2002). https://doi.org/10.1038/nrd841
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DOI: https://doi.org/10.1038/nrd841
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